(2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine

C14H21N3 — CID 88993607

IUPAC(2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine
SMILESNC/C=C\C=C\CNCc1ccc(CN)cc1
InChIInChI=1S/C14H21N3/c15-9-3-1-2-4-10-17-12-14-7-5-13(11-16)6-8-14/h1-8,17H,9-12,15-16H2/b3-1-,4-2+
InChIKeyRZFUTSHFJQTOJS-HSFFGMMNSA-N
MW231.34 g/mol
LogP1.31
Rot. Bonds7

About (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine

(2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine (PubChem CID 88993607) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine.

Molecular Properties

Compound Name(2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine
PubChem CID88993607
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine
SMILESNC/C=C\C=C\CNCc1ccc(CN)cc1
InChIInChI=1S/C14H21N3/c15-9-3-1-2-4-10-17-12-14-7-5-13(11-16)6-8-14/h1-8,17H,9-12,15-16H2/b3-1-,4-2+
InChIKeyRZFUTSHFJQTOJS-HSFFGMMNSA-N
XLogP1.31
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
CID 89055179
CID 89055179
(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
CID 107899645
N'-benzylprop-1-ene-1,3-diamine
CID 70630128
4-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845586
(E)-4-chloro-N-[(4-ethylphenyl)methyl]but-2-en-1-amine
CID 106899632
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
3-[(4-fluorophenyl)methylamino]prop-1-enylboronamidic acid
CID 123319266
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
4-[(prop-2-enylamino)methyl]benzamide
CID 28563456
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
N-[(4-methylphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 4723953

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine?
The IUPAC name of (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine (CID 88993607) is (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine.
What is the SMILES notation for (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine?
The canonical SMILES for (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine is NC/C=C\C=C\CNCc1ccc(CN)cc1.
What is the InChIKey of (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine?
The InChIKey is RZFUTSHFJQTOJS-HSFFGMMNSA-N. The full InChI is InChI=1S/C14H21N3/c15-9-3-1-2-4-10-17-12-14-7-5-13(11-16)6-8-14/h1-8,17H,9-12,15-16H2/b3-1-,4-2+.
What are the key properties of (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine?
(2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine has a molecular weight of 231.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N'-[[4-(aminomethyl)phenyl]methyl]hexa-2,4-diene-1,6-diamine is sourced from PubChem (CID 88993607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).