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

C19H27NS — CID 10357514

IUPAC1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C19H27NS/c1-2-3-9-14-20-19(12-7-4-8-13-19)18-15-16-10-5-6-11-17(16)21-18/h5-6,10-11,15,20H,2-4,7-9,12-14H2,1H3
InChIKeyVLSWNCNHLJXEJN-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.84
Rot. Bonds6

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

1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine (PubChem CID 10357514) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine
PubChem CID10357514
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C19H27NS/c1-2-3-9-14-20-19(12-7-4-8-13-19)18-15-16-10-5-6-11-17(16)21-18/h5-6,10-11,15,20H,2-4,7-9,12-14H2,1H3
InChIKeyVLSWNCNHLJXEJN-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine (CID 10357514) is 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine is CCCCCNC1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine?
The InChIKey is VLSWNCNHLJXEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-2-3-9-14-20-19(12-7-4-8-13-19)18-15-16-10-5-6-11-17(16)21-18/h5-6,10-11,15,20H,2-4,7-9,12-14H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-pentylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.84, 6 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-pentylcyclohexan-1-amine is sourced from PubChem (CID 10357514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).