N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine

C17H23NS — CID 104982899

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H23NS/c1-12-7-9-15(10-8-12)18-13(2)17-11-14-5-3-4-6-16(14)19-17/h3-6,11-13,15,18H,7-10H2,1-2H3
InChIKeyHSRKGYSJRZOHQC-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.13
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine

N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 104982899) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID104982899
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H23NS/c1-12-7-9-15(10-8-12)18-13(2)17-11-14-5-3-4-6-16(14)19-17/h3-6,11-13,15,18H,7-10H2,1-2H3
InChIKeyHSRKGYSJRZOHQC-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-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-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine (CID 104982899) is N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NC(C)c2cc3ccccc3s2)CC1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is HSRKGYSJRZOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-12-7-9-15(10-8-12)18-13(2)17-11-14-5-3-4-6-16(14)19-17/h3-6,11-13,15,18H,7-10H2,1-2H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 104982899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).