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

C14H22N2S — CID 107234433

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2ncc(C)s2)C1
InChIInChI=1S/C14H22N2S/c1-10-4-11(2)6-13(5-10)8-15-9-14-16-7-12(3)17-14/h4,7,10,13,15H,5-6,8-9H2,1-3H3
InChIKeyMPASQOARYQXEOE-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.53
Rot. Bonds4

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

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 107234433) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID107234433
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2ncc(C)s2)C1
InChIInChI=1S/C14H22N2S/c1-10-4-11(2)6-13(5-10)8-15-9-14-16-7-12(3)17-14/h4,7,10,13,15H,5-6,8-9H2,1-3H3
InChIKeyMPASQOARYQXEOE-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

2-(4-fluorocyclohexa-2,4-dien-1-yl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanimidamide
CID 135269122
5-methyl-2-[(E)-2-piperidin-4-ylethenyl]-1,3-thiazole
CID 57701924
5-Methyl-2-(piperidin-4-ylidenemethyl)-1,3-thiazole
CID 90142904
N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 167018959
N-methyl-4-(5-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 167262574
2-[(E)-3-butyl-2-methylhept-1-enyl]-5-methyl-1,3-thiazole
CID 10945349
Cyclohexyl-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559031
2-(cyclohexen-1-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883321
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propylpentan-1-amine
CID 55143485
4-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 55143486
3-methyl-N-(2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 55143487
2-(cyclohexen-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776605

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 107234433) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is CC1=CC(C)CC(CNCc2ncc(C)s2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is MPASQOARYQXEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-4-11(2)6-13(5-10)8-15-9-14-16-7-12(3)17-14/h4,7,10,13,15H,5-6,8-9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 250.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 107234433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).