1-N,1-N-dibenzylpent-4-ene-1,2-diamine

C19H24N2 — CID 130698505

IUPAC1-N,1-N-dibenzylpent-4-ene-1,2-diamine
SMILESC=CCC(N)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2/c1-2-9-19(20)16-21(14-17-10-5-3-6-11-17)15-18-12-7-4-8-13-18/h2-8,10-13,19H,1,9,14-16,20H2
InChIKeyDFDJRCYFCRAHPQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.59
Rot. Bonds8

About 1-N,1-N-dibenzylpent-4-ene-1,2-diamine

1-N,1-N-dibenzylpent-4-ene-1,2-diamine (PubChem CID 130698505) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-N,1-N-dibenzylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dibenzylpent-4-ene-1,2-diamine
PubChem CID130698505
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-N,1-N-dibenzylpent-4-ene-1,2-diamine
SMILESC=CCC(N)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2/c1-2-9-19(20)16-21(14-17-10-5-3-6-11-17)15-18-12-7-4-8-13-18/h2-8,10-13,19H,1,9,14-16,20H2
InChIKeyDFDJRCYFCRAHPQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N-dibenzylpent-4-ene-1,2-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

(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
CID 102403190
N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide
CID 15316897
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine
CID 102463026
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
methyl 2-[(dibenzylamino)methyl]but-3-enoate
CID 10924921
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine
CID 103339332
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibenzylpent-4-ene-1,2-diamine?
The IUPAC name of 1-N,1-N-dibenzylpent-4-ene-1,2-diamine (CID 130698505) is 1-N,1-N-dibenzylpent-4-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dibenzylpent-4-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dibenzylpent-4-ene-1,2-diamine is C=CCC(N)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-N,1-N-dibenzylpent-4-ene-1,2-diamine?
The InChIKey is DFDJRCYFCRAHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-9-19(20)16-21(14-17-10-5-3-6-11-17)15-18-12-7-4-8-13-18/h2-8,10-13,19H,1,9,14-16,20H2.
What are the key properties of 1-N,1-N-dibenzylpent-4-ene-1,2-diamine?
1-N,1-N-dibenzylpent-4-ene-1,2-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibenzylpent-4-ene-1,2-diamine is sourced from PubChem (CID 130698505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).