N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine

C14H28N2 — CID 107172008

IUPACN-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
SMILESCC(C)C1CC(N(C)C2CCCNCC2)C1
InChIInChI=1S/C14H28N2/c1-11(2)12-9-14(10-12)16(3)13-5-4-7-15-8-6-13/h11-15H,4-10H2,1-3H3
InChIKeyDVDLRTVJHKGVNY-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds3

About N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine

N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine (PubChem CID 107172008) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
PubChem CID107172008
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
SMILESCC(C)C1CC(N(C)C2CCCNCC2)C1
InChIInChI=1S/C14H28N2/c1-11(2)12-9-14(10-12)16(3)13-5-4-7-15-8-6-13/h11-15H,4-10H2,1-3H3
InChIKeyDVDLRTVJHKGVNY-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-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-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
N-(3-ethylcyclohexyl)-N-methylazepan-4-amine
CID 107172001
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 107171989
N-cyclopropyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53408558
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
CID 107171962
N-(azepan-4-yl)-N,2,3-trimethylbutanamide
CID 104974580
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-methyl-N-(1-piperidin-4-ylethyl)cyclobutanamine
CID 131036657
N-methoxy-N-methylazepan-4-amine
CID 84650806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine (CID 107172008) is N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine is CC(C)C1CC(N(C)C2CCCNCC2)C1.
What is the InChIKey of N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine?
The InChIKey is DVDLRTVJHKGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)12-9-14(10-12)16(3)13-5-4-7-15-8-6-13/h11-15H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine?
N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine is sourced from PubChem (CID 107172008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).