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

C17H23NS — CID 10038968

IUPAC1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C17H23NS/c1-2-12-18-17(10-6-3-7-11-17)16-13-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3
InChIKeyZTPIVFSAHJOUHQ-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.06
Rot. Bonds4

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

1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine (PubChem CID 10038968) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine
PubChem CID10038968
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C17H23NS/c1-2-12-18-17(10-6-3-7-11-17)16-13-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3
InChIKeyZTPIVFSAHJOUHQ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.06
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-propylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine (CID 10038968) is 1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine is CCCNC1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine?
The InChIKey is ZTPIVFSAHJOUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-12-18-17(10-6-3-7-11-17)16-13-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-propylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.06, 4 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-propylcyclohexan-1-amine is sourced from PubChem (CID 10038968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).