1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine

C19H25NS — CID 10266775

IUPAC1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C19H25NS/c1-15(2)10-13-20-19(11-6-3-7-12-19)18-14-16-8-4-5-9-17(16)21-18/h4-5,8-10,14,20H,3,6-7,11-13H2,1-2H3
InChIKeyAQJQLTLZYKRVDN-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.62
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 10266775) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID10266775
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C19H25NS/c1-15(2)10-13-20-19(11-6-3-7-12-19)18-14-16-8-4-5-9-17(16)21-18/h4-5,8-10,14,20H,3,6-7,11-13H2,1-2H3
InChIKeyAQJQLTLZYKRVDN-UHFFFAOYSA-N
XLogP5.62
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 ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 10266775) is 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine is CC(C)=CCNC1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is AQJQLTLZYKRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-15(2)10-13-20-19(11-6-3-7-12-19)18-14-16-8-4-5-9-17(16)21-18/h4-5,8-10,14,20H,3,6-7,11-13H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.62, 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-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 10266775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).