1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

C15H23NS — CID 103276900

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2sccc2C)C1
InChIInChI=1S/C15H23NS/c1-11-6-12(2)8-14(7-11)9-16-10-15-13(3)4-5-17-15/h4-6,11,14,16H,7-10H2,1-3H3
InChIKeyZSPKVIBWUJJGRL-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.14
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 103276900) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID103276900
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2sccc2C)C1
InChIInChI=1S/C15H23NS/c1-11-6-12(2)8-14(7-11)9-16-10-15-13(3)4-5-17-15/h4-6,11,14,16H,7-10H2,1-3H3
InChIKeyZSPKVIBWUJJGRL-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine with MolForge

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine;hydrochloride
CID 16192672
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 103276900) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is CC1=CC(C)CC(CNCc2sccc2C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is ZSPKVIBWUJJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11-6-12(2)8-14(7-11)9-16-10-15-13(3)4-5-17-15/h4-6,11,14,16H,7-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 249.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 103276900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).