N-methyl-1-propylazepan-4-amine

C10H22N2 — CID 65072873

IUPACN-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC)CC1
InChIInChI=1S/C10H22N2/c1-3-7-12-8-4-5-10(11-2)6-9-12/h10-11H,3-9H2,1-2H3
InChIKeyLCEJNCIGMLJULY-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds3

About N-methyl-1-propylazepan-4-amine

N-methyl-1-propylazepan-4-amine (PubChem CID 65072873) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-methyl-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-methyl-1-propylazepan-4-amine
PubChem CID65072873
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-methyl-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC)CC1
InChIInChI=1S/C10H22N2/c1-3-7-12-8-4-5-10(11-2)6-9-12/h10-11H,3-9H2,1-2H3
InChIKeyLCEJNCIGMLJULY-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-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

2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
CID 65073378
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65073049
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propylazepan-4-amine?
The IUPAC name of N-methyl-1-propylazepan-4-amine (CID 65072873) is N-methyl-1-propylazepan-4-amine.
What is the SMILES notation for N-methyl-1-propylazepan-4-amine?
The canonical SMILES for N-methyl-1-propylazepan-4-amine is CCCN1CCCC(NC)CC1.
What is the InChIKey of N-methyl-1-propylazepan-4-amine?
The InChIKey is LCEJNCIGMLJULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-7-12-8-4-5-10(11-2)6-9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-propylazepan-4-amine?
N-methyl-1-propylazepan-4-amine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propylazepan-4-amine is sourced from PubChem (CID 65072873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).