N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine

C17H34N2 — CID 65073049

IUPACN-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCCC(C)C2C)CC1
InChIInChI=1S/C17H34N2/c1-4-11-19-12-6-8-16(10-13-19)18-17-9-5-7-14(2)15(17)3/h14-18H,4-13H2,1-3H3
InChIKeyREQMMMDUAAHNKY-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine

N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine (PubChem CID 65073049) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
PubChem CID65073049
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCCC(C)C2C)CC1
InChIInChI=1S/C17H34N2/c1-4-11-19-12-6-8-16(10-13-19)18-17-9-5-7-14(2)15(17)3/h14-18H,4-13H2,1-3H3
InChIKeyREQMMMDUAAHNKY-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-(2,3-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-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
CID 79956542
1-methyl-N-(2-methylcyclopentyl)azepan-4-amine
CID 65075133
N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
CID 64760268
1-cyclopropyl-N-(2,3-dimethylcyclohexyl)piperidin-4-amine
CID 64761871
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
N-(2-methyloxolan-3-yl)-1-propylpiperidin-4-amine
CID 115335615
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine (CID 65073049) is N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine is CCCN1CCCC(NC2CCCC(C)C2C)CC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine?
The InChIKey is REQMMMDUAAHNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-11-19-12-6-8-16(10-13-19)18-17-9-5-7-14(2)15(17)3/h14-18H,4-13H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine?
N-(2,3-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-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65073049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).