N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine

C17H34N2 — CID 65078643

IUPACN-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-4-10-19-11-5-6-16(9-12-19)18-17-8-7-14(2)15(3)13-17/h14-18H,4-13H2,1-3H3
InChIKeyNXPGMLSPZWGAQB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine

N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine (PubChem CID 65078643) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
PubChem CID65078643
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-4-10-19-11-5-6-16(9-12-19)18-17-8-7-14(2)15(3)13-17/h14-18H,4-13H2,1-3H3
InChIKeyNXPGMLSPZWGAQB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-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-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65073049
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
[3-[(1-propylpiperidin-4-yl)amino]cyclohexyl]methanol
CID 112753304
N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
CID 64745426
N-(3,4-dimethylcyclohexyl)cyclooctanamine
CID 64733155
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
CID 114629183
N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
CID 130815534

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine (CID 65078643) is N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine is CCCN1CCCC(NC2CCC(C)C(C)C2)CC1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine?
The InChIKey is NXPGMLSPZWGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-10-19-11-5-6-16(9-12-19)18-17-8-7-14(2)15(3)13-17/h14-18H,4-13H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine?
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65078643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).