N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine

C16H30N2 — CID 81004792

IUPACN-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCC1CCCN(C2CCC2CNC2CC2)CC1
InChIInChI=1S/C16H30N2/c1-2-13-4-3-10-18(11-9-13)16-8-5-14(16)12-17-15-6-7-15/h13-17H,2-12H2,1H3
InChIKeyRVWIHEVIUMQOKN-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 81004792) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID81004792
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCC1CCCN(C2CCC2CNC2CC2)CC1
InChIInChI=1S/C16H30N2/c1-2-13-4-3-10-18(11-9-13)16-8-5-14(16)12-17-15-6-7-15/h13-17H,2-12H2,1H3
InChIKeyRVWIHEVIUMQOKN-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine (CID 81004792) is N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine is CCC1CCCN(C2CCC2CNC2CC2)CC1.
What is the InChIKey of N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is RVWIHEVIUMQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-13-4-3-10-18(11-9-13)16-8-5-14(16)12-17-15-6-7-15/h13-17H,2-12H2,1H3.
What are the key properties of N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).