1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine

C19H25NS — CID 11779520

IUPAC1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine
SMILESc1ccc2sc(C3(NCC4CCC4)CCCCC3)cc2c1
InChIInChI=1S/C19H25NS/c1-4-11-19(12-5-1,20-14-15-7-6-8-15)18-13-16-9-2-3-10-17(16)21-18/h2-3,9-10,13,15,20H,1,4-8,11-12,14H2
InChIKeyCEBKPTHIAVHSLE-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.45
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine (PubChem CID 11779520) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine
PubChem CID11779520
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine
SMILESc1ccc2sc(C3(NCC4CCC4)CCCCC3)cc2c1
InChIInChI=1S/C19H25NS/c1-4-11-19(12-5-1,20-14-15-7-6-8-15)18-13-16-9-2-3-10-17(16)21-18/h2-3,9-10,13,15,20H,1,4-8,11-12,14H2
InChIKeyCEBKPTHIAVHSLE-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.45
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-(cyclobutylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine (CID 11779520) is 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine is c1ccc2sc(C3(NCC4CCC4)CCCCC3)cc2c1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine?
The InChIKey is CEBKPTHIAVHSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-11-19(12-5-1,20-14-15-7-6-8-15)18-13-16-9-2-3-10-17(16)21-18/h2-3,9-10,13,15,20H,1,4-8,11-12,14H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-(cyclobutylmethyl)cyclohexan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.45, 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-(cyclobutylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 11779520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).