(1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine

C15H29N3 — CID 89377629

IUPAC(1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine
SMILESC=CCC(/C=C\N)CNN(C)/C(C)=C/CCCC
InChIInChI=1S/C15H29N3/c1-5-7-8-10-14(3)18(4)17-13-15(9-6-2)11-12-16/h6,10-12,15,17H,2,5,7-9,13,16H2,1,3-4H3/b12-11-,14-10+
InChIKeyOVVKKPVAFXRCFM-QOBSPMRMSA-N
MW251.42 g/mol
LogP3.18
Rot. Bonds10

About (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine

(1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine (PubChem CID 89377629) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine
PubChem CID89377629
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine
SMILESC=CCC(/C=C\N)CNN(C)/C(C)=C/CCCC
InChIInChI=1S/C15H29N3/c1-5-7-8-10-14(3)18(4)17-13-15(9-6-2)11-12-16/h6,10-12,15,17H,2,5,7-9,13,16H2,1,3-4H3/b12-11-,14-10+
InChIKeyOVVKKPVAFXRCFM-QOBSPMRMSA-N
XLogP3.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine?
The IUPAC name of (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine (CID 89377629) is (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine.
What is the SMILES notation for (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine?
The canonical SMILES for (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine is C=CCC(/C=C\N)CNN(C)/C(C)=C/CCCC.
What is the InChIKey of (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine?
The InChIKey is OVVKKPVAFXRCFM-QOBSPMRMSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-7-8-10-14(3)18(4)17-13-15(9-6-2)11-12-16/h6,10-12,15,17H,2,5,7-9,13,16H2,1,3-4H3/b12-11-,14-10+.
What are the key properties of (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine?
(1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-[[2-[(E)-hept-2-en-2-yl]-2-methylhydrazinyl]methyl]hexa-1,5-dien-1-amine is sourced from PubChem (CID 89377629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).