N'-benzylprop-1-ene-1,3-diamine

C10H14N2 — CID 70630128

IUPACN'-benzylprop-1-ene-1,3-diamine
SMILESNC=CCNCc1ccccc1
InChIInChI=1S/C10H14N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-7,12H,8-9,11H2
InChIKeyVKDBYYPYKOMUBW-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.25
Rot. Bonds4

About N'-benzylprop-1-ene-1,3-diamine

N'-benzylprop-1-ene-1,3-diamine (PubChem CID 70630128) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N'-benzylprop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN'-benzylprop-1-ene-1,3-diamine
PubChem CID70630128
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN'-benzylprop-1-ene-1,3-diamine
SMILESNC=CCNCc1ccccc1
InChIInChI=1S/C10H14N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-7,12H,8-9,11H2
InChIKeyVKDBYYPYKOMUBW-UHFFFAOYSA-N
XLogP1.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)acetaldehyde
CID 2769654
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine
CID 101129533
(E)-3-phenyl-N-(pyridin-4-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 17292720
[3-(benzylamino)prop-1-enyl-dimethylsilyl]methanol
CID 140795783
N-benzyl-3-deuterioprop-2-en-1-amine
CID 16686204
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzylprop-2-en-1-amine;2-phenylethanamine
CID 70268529
N-benzyl-3-methylbut-2-en-1-amine;hydrobromide
CID 173401181
N-[(4-methylphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 4723953
N-benzyl-2-iminoethanamine;molecular hydrogen
CID 156849482
(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17292721

Frequently Asked Questions

What is the IUPAC name of N'-benzylprop-1-ene-1,3-diamine?
The IUPAC name of N'-benzylprop-1-ene-1,3-diamine (CID 70630128) is N'-benzylprop-1-ene-1,3-diamine.
What is the SMILES notation for N'-benzylprop-1-ene-1,3-diamine?
The canonical SMILES for N'-benzylprop-1-ene-1,3-diamine is NC=CCNCc1ccccc1.
What is the InChIKey of N'-benzylprop-1-ene-1,3-diamine?
The InChIKey is VKDBYYPYKOMUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-7,12H,8-9,11H2.
What are the key properties of N'-benzylprop-1-ene-1,3-diamine?
N'-benzylprop-1-ene-1,3-diamine has a molecular weight of 162.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylprop-1-ene-1,3-diamine is sourced from PubChem (CID 70630128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).