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

C17H23NS — CID 81142096

IUPAC1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2cccc3ccsc23)CC1
InChIInChI=1S/C17H23NS/c1-2-4-13-7-10-17(18,11-8-13)15-6-3-5-14-9-12-19-16(14)15/h3,5-6,9,12-13H,2,4,7-8,10-11,18H2,1H3
InChIKeyMXQWGTDNUGIMKI-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.05
Rot. Bonds3

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

1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine (PubChem CID 81142096) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
PubChem CID81142096
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2cccc3ccsc23)CC1
InChIInChI=1S/C17H23NS/c1-2-4-13-7-10-17(18,11-8-13)15-6-3-5-14-9-12-19-16(14)15/h3,5-6,9,12-13H,2,4,7-8,10-11,18H2,1H3
InChIKeyMXQWGTDNUGIMKI-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine (CID 81142096) is 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(c2cccc3ccsc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
The InChIKey is MXQWGTDNUGIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-4-13-7-10-17(18,11-8-13)15-6-3-5-14-9-12-19-16(14)15/h3,5-6,9,12-13H,2,4,7-8,10-11,18H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine?
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 81142096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).