N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine

C17H28N2 — CID 115213105

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine
SMILESCC(C)(CNCc1cccc(CN)c1)C1CCCC1
InChIInChI=1S/C17H28N2/c1-17(2,16-8-3-4-9-16)13-19-12-15-7-5-6-14(10-15)11-18/h5-7,10,16,19H,3-4,8-9,11-13,18H2,1-2H3
InChIKeyZYNYIYYMHPMFDY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.45
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine

N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine (PubChem CID 115213105) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine
PubChem CID115213105
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine
SMILESCC(C)(CNCc1cccc(CN)c1)C1CCCC1
InChIInChI=1S/C17H28N2/c1-17(2,16-8-3-4-9-16)13-19-12-15-7-5-6-14(10-15)11-18/h5-7,10,16,19H,3-4,8-9,11-13,18H2,1-2H3
InChIKeyZYNYIYYMHPMFDY-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-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

Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine
CID 115213095
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115213074
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
CID 102814062
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113450002
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine (CID 115213105) is N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine is CC(C)(CNCc1cccc(CN)c1)C1CCCC1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine?
The InChIKey is ZYNYIYYMHPMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,16-8-3-4-9-16)13-19-12-15-7-5-6-14(10-15)11-18/h5-7,10,16,19H,3-4,8-9,11-13,18H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine?
N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-cyclopentyl-2-methylpropan-1-amine is sourced from PubChem (CID 115213105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).