N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine

C14H24N2S — CID 81422509

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCCc1nc(CNC2CCCC(C)(C)C2)cs1
InChIInChI=1S/C14H24N2S/c1-4-13-16-12(10-17-13)9-15-11-6-5-7-14(2,3)8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyWWCQHZXYGPGCNS-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 81422509) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID81422509
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCCc1nc(CNC2CCCC(C)(C)C2)cs1
InChIInChI=1S/C14H24N2S/c1-4-13-16-12(10-17-13)9-15-11-6-5-7-14(2,3)8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyWWCQHZXYGPGCNS-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042984
2-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 55031515
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396376
(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine
CID 95226564
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115882093
[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 47619089
N-[(4,5-dibromothiophen-2-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 102836922
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
1-cyclopentyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylguanidine
CID 110990983

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine (CID 81422509) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine is CCc1nc(CNC2CCCC(C)(C)C2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is WWCQHZXYGPGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-13-16-12(10-17-13)9-15-11-6-5-7-14(2,3)8-11/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81422509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).