2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

C16H27NS — CID 80526151

IUPAC2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC(C)(C)c2cccs2)C1C
InChIInChI=1S/C16H27NS/c1-12-7-5-8-14(13(12)2)17-11-16(3,4)15-9-6-10-18-15/h6,9-10,12-14,17H,5,7-8,11H2,1-4H3
InChIKeyPBSKHLCIMPVXPG-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.44
Rot. Bonds4

About 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine

2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 80526151) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID80526151
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC(C)(C)c2cccs2)C1C
InChIInChI=1S/C16H27NS/c1-12-7-5-8-14(13(12)2)17-11-16(3,4)15-9-6-10-18-15/h6,9-10,12-14,17H,5,7-8,11H2,1-4H3
InChIKeyPBSKHLCIMPVXPG-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-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 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 80526151) is 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is CC1CCCC(NCC(C)(C)c2cccs2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is PBSKHLCIMPVXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-12-7-5-8-14(13(12)2)17-11-16(3,4)15-9-6-10-18-15/h6,9-10,12-14,17H,5,7-8,11H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine?
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 80526151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).