2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine

C17H23NS — CID 81146481

IUPAC2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2cccc3ccsc23)C1
InChIInChI=1S/C17H23NS/c1-2-4-12-7-8-16(18)15(11-12)14-6-3-5-13-9-10-19-17(13)14/h3,5-6,9-10,12,15-16H,2,4,7-8,11,18H2,1H3
InChIKeyMWJVOVNDZCZTNP-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.91
Rot. Bonds3

About 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine

2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine (PubChem CID 81146481) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
PubChem CID81146481
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2cccc3ccsc23)C1
InChIInChI=1S/C17H23NS/c1-2-4-12-7-8-16(18)15(11-12)14-6-3-5-13-9-10-19-17(13)14/h3,5-6,9-10,12,15-16H,2,4,7-8,11,18H2,1H3
InChIKeyMWJVOVNDZCZTNP-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-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

Related Compounds

2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619
2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
CID 81014515
1-[2-(1-benzothiophen-7-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81148235
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
CID 81142096
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
CID 81154320
[2-(1-benzothiophen-7-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 81147934
2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
CID 81014836
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol
CID 81142519
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
CID 103132423
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-propylcyclohexan-1-amine
CID 62615711
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine (CID 81146481) is 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(c2cccc3ccsc23)C1.
What is the InChIKey of 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
The InChIKey is MWJVOVNDZCZTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-4-12-7-8-16(18)15(11-12)14-6-3-5-13-9-10-19-17(13)14/h3,5-6,9-10,12,15-16H,2,4,7-8,11,18H2,1H3.
What are the key properties of 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 81146481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).