(E)-N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine
Formula:C10H24N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine is a drug-like molecule.
| MolName | (E)-N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine |
| MolecularFormula | C10H24N4 |
| Smiles | NCCCNC/C=C/CNCCCN |
| InChI | InChI=1S/C10H24N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-2,13-14H,3-12H2 |
| InChIK | QIMQRAOUTRFLRN-UHFFFAOYSA-N |
| TotalMolweight | 200.329 |
| Molweight | 200.329 |
| MonoisotopicMass | 200.200096 |
| CLogP | -1.2398 |
| CLogS | -0.544 |
| H Acceptors | 4 |
| H Donors | 4 |
| TotalSurfaceArea | 190.04 |
| Relative PSA | 0.28131 |
| PolarSurfaceArea | 76.1 |
| Druglikeness | -2.9876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 10 |
| Sp3Atoms | 12 |
| Symmetricatoms | 7 |
| Amines | 4 |
| AlkylAmines | 4 |
| BasicNitrogens | 4 |
| StereoCon |
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1 - (E)-N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine | 2 - (E)-N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine
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