[3-(2-iminopentyl)phenyl]methanamine

C12H18N2 — CID 174650282

IUPAC[3-(2-iminopentyl)phenyl]methanamine
SMILES[H]/N=C(\CCC)Cc1cccc(CN)c1
InChIInChI=1S/C12H18N2/c1-2-4-12(14)8-10-5-3-6-11(7-10)9-13/h3,5-7,14H,2,4,8-9,13H2,1H3/b14-12+
InChIKeyCAZXCBWASPUHJX-WYMLVPIESA-N
MW190.29 g/mol
LogP2.51
Rot. Bonds5

About [3-(2-iminopentyl)phenyl]methanamine

[3-(2-iminopentyl)phenyl]methanamine (PubChem CID 174650282) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [3-(2-iminopentyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-iminopentyl)phenyl]methanamine
PubChem CID174650282
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[3-(2-iminopentyl)phenyl]methanamine
SMILES[H]/N=C(\CCC)Cc1cccc(CN)c1
InChIInChI=1S/C12H18N2/c1-2-4-12(14)8-10-5-3-6-11(7-10)9-13/h3,5-7,14H,2,4,8-9,13H2,1H3/b14-12+
InChIKeyCAZXCBWASPUHJX-WYMLVPIESA-N
XLogP2.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [3-(2-iminopentyl)phenyl]methanamine 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

3-(2-iminopentyl)benzonitrile
CID 174650281
ethyl (2S)-2-amino-4-[3-(2-iminopentyl)phenyl]butanoate
CID 174650285
[3-(3-iminobutyl)phenyl]methanamine
CID 157053847
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
1-[4-(4-chlorophenyl)-3-methoxyphenyl]pentan-2-imine
CID 175270117
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
ethyl 4-(3-bromophenyl)-3-iminobutanoate
CID 91157690
[3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530073
(4-ethanimidoyl-3-ethylphenyl)methanamine
CID 144882906
[3-(butylsulfinylmethyl)phenyl]methanamine
CID 81328267

Frequently Asked Questions

What is the IUPAC name of [3-(2-iminopentyl)phenyl]methanamine?
The IUPAC name of [3-(2-iminopentyl)phenyl]methanamine (CID 174650282) is [3-(2-iminopentyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-iminopentyl)phenyl]methanamine?
The canonical SMILES for [3-(2-iminopentyl)phenyl]methanamine is [H]/N=C(\CCC)Cc1cccc(CN)c1.
What is the InChIKey of [3-(2-iminopentyl)phenyl]methanamine?
The InChIKey is CAZXCBWASPUHJX-WYMLVPIESA-N. The full InChI is InChI=1S/C12H18N2/c1-2-4-12(14)8-10-5-3-6-11(7-10)9-13/h3,5-7,14H,2,4,8-9,13H2,1H3/b14-12+.
What are the key properties of [3-(2-iminopentyl)phenyl]methanamine?
[3-(2-iminopentyl)phenyl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-iminopentyl)phenyl]methanamine is sourced from PubChem (CID 174650282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).