N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine

C16H26N2S — CID 81031376

IUPACN-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCc1csc(CC2CC(C)CCC2CNC2CC2)n1
InChIInChI=1S/C16H26N2S/c1-11-3-4-13(9-17-15-5-6-15)14(7-11)8-16-18-12(2)10-19-16/h10-11,13-15,17H,3-9H2,1-2H3
InChIKeyXMAOHEIUMJAAQH-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.80
Rot. Bonds5

About N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine

N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 81031376) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID81031376
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCc1csc(CC2CC(C)CCC2CNC2CC2)n1
InChIInChI=1S/C16H26N2S/c1-11-3-4-13(9-17-15-5-6-15)14(7-11)8-16-18-12(2)10-19-16/h10-11,13-15,17H,3-9H2,1-2H3
InChIKeyXMAOHEIUMJAAQH-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 81017373
N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine
CID 104771669
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028146
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114350178
N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032362
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 83197030
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine (CID 81031376) is N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine is Cc1csc(CC2CC(C)CCC2CNC2CC2)n1.
What is the InChIKey of N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is XMAOHEIUMJAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11-3-4-13(9-17-15-5-6-15)14(7-11)8-16-18-12(2)10-19-16/h10-11,13-15,17H,3-9H2,1-2H3.
What are the key properties of N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 278.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81031376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).