1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine

C15H24N2 — CID 130563719

IUPAC1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
SMILESC=CCCNC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-4-5-11-16-14(2)12-17(3)13-15-9-7-6-8-10-15/h4,6-10,14,16H,1,5,11-13H2,2-3H3
InChIKeyMUZSGKLDQIVBFE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.67
Rot. Bonds8

About 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine

1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine (PubChem CID 130563719) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
PubChem CID130563719
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
SMILESC=CCCNC(C)CN(C)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-4-5-11-16-14(2)12-17(3)13-15-9-7-6-8-10-15/h4,6-10,14,16H,1,5,11-13H2,2-3H3
InChIKeyMUZSGKLDQIVBFE-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-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

1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 86882554
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 133435889
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
CID 115707813
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine (CID 130563719) is 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine is C=CCCNC(C)CN(C)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine?
The InChIKey is MUZSGKLDQIVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-5-11-16-14(2)12-17(3)13-15-9-7-6-8-10-15/h4,6-10,14,16H,1,5,11-13H2,2-3H3.
What are the key properties of 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine?
1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 130563719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).