1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine

C18H30N2 — CID 65384430

IUPAC1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(NCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-7-16-10-6-12-18(15-19,13-11-16)20-14-17-8-4-3-5-9-17/h3-5,8-9,16,20H,2,6-7,10-15,19H2,1H3
InChIKeyLBDQWMOBXPUOQU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

About 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine

1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine (PubChem CID 65384430) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
PubChem CID65384430
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(CN)(NCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-7-16-10-6-12-18(15-19,13-11-16)20-14-17-8-4-3-5-9-17/h3-5,8-9,16,20H,2,6-7,10-15,19H2,1H3
InChIKeyLBDQWMOBXPUOQU-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-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

1-(aminomethyl)-N-benzylcyclobutan-1-amine
CID 79521095
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
1-(benzylamino)-4-propylcycloheptane-1-carboxamide
CID 65088717
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine
CID 113464354
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine
CID 65193606
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
CID 65384423
1-(aminomethyl)-N-benzyl-3,4-dimethylcyclohexan-1-amine
CID 65384214
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
CID 65090775

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine (CID 65384430) is 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine is CCCC1CCCC(CN)(NCc2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine?
The InChIKey is LBDQWMOBXPUOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-7-16-10-6-12-18(15-19,13-11-16)20-14-17-8-4-3-5-9-17/h3-5,8-9,16,20H,2,6-7,10-15,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine?
1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65384430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).