1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine

C16H21NS — CID 612323

IUPAC1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C16H21NS/c1-2-17-16(10-6-3-7-11-16)15-12-13-8-4-5-9-14(13)18-15/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyKAOGXHSPGLGKAE-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.67
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine (PubChem CID 612323) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine
PubChem CID612323
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C16H21NS/c1-2-17-16(10-6-3-7-11-16)15-12-13-8-4-5-9-14(13)18-15/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyKAOGXHSPGLGKAE-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine (CID 612323) is 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine is CCNC1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine?
The InChIKey is KAOGXHSPGLGKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-17-16(10-6-3-7-11-16)15-12-13-8-4-5-9-14(13)18-15/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 612323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).