2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine

C15H30N2S — CID 114269878

IUPAC2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine
SMILESCSC1(C(CN)N2CCCC(C)(C)CC2)CCC1
InChIInChI=1S/C15H30N2S/c1-14(2)6-5-10-17(11-9-14)13(12-16)15(18-3)7-4-8-15/h13H,4-12,16H2,1-3H3
InChIKeyFPNIGHVJXTWTIU-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.11
Rot. Bonds4

About 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine

2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine (PubChem CID 114269878) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine
PubChem CID114269878
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine
SMILESCSC1(C(CN)N2CCCC(C)(C)CC2)CCC1
InChIInChI=1S/C15H30N2S/c1-14(2)6-5-10-17(11-9-14)13(12-16)15(18-3)7-4-8-15/h13H,4-12,16H2,1-3H3
InChIKeyFPNIGHVJXTWTIU-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine 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 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine (CID 114269878) is 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine is CSC1(C(CN)N2CCCC(C)(C)CC2)CCC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine?
The InChIKey is FPNIGHVJXTWTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-14(2)6-5-10-17(11-9-14)13(12-16)15(18-3)7-4-8-15/h13H,4-12,16H2,1-3H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine?
2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine has a molecular weight of 270.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-2-(1-methylsulfanylcyclobutyl)ethanamine is sourced from PubChem (CID 114269878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).