N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine

C16H31N — CID 126604290

IUPACN-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1CC(NC(C)C2CCCCCC2)C1C
InChIInChI=1S/C16H31N/c1-4-14-11-16(12(14)2)17-13(3)15-9-7-5-6-8-10-15/h12-17H,4-11H2,1-3H3
InChIKeyGXJZXYZSYZTUAQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds4

About N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine

N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine (PubChem CID 126604290) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine
PubChem CID126604290
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1CC(NC(C)C2CCCCCC2)C1C
InChIInChI=1S/C16H31N/c1-4-14-11-16(12(14)2)17-13(3)15-9-7-5-6-8-10-15/h12-17H,4-11H2,1-3H3
InChIKeyGXJZXYZSYZTUAQ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine 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-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine (CID 126604290) is N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine is CCC1CC(NC(C)C2CCCCCC2)C1C.
What is the InChIKey of N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is GXJZXYZSYZTUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-14-11-16(12(14)2)17-13(3)15-9-7-5-6-8-10-15/h12-17H,4-11H2,1-3H3.
What are the key properties of N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine?
N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylethyl)-3-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 126604290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).