4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine

C12H21N3S — CID 107783843

IUPAC4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ncc[nH]2)C1
InChIInChI=1S/C12H21N3S/c1-3-9-4-5-10(13-2)11(8-9)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyHOGBAZNZZUQTSO-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.67
Rot. Bonds4

About 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine

4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine (PubChem CID 107783843) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
PubChem CID107783843
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2ncc[nH]2)C1
InChIInChI=1S/C12H21N3S/c1-3-9-4-5-10(13-2)11(8-9)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyHOGBAZNZZUQTSO-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclohexane-1-carboxylic acid
CID 107782746
4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626698
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)cyclooctan-1-amine
CID 107783899
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64620075
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine
CID 107784030
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 107783909
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
N-(3-ethylcyclohexyl)-1H-imidazol-2-amine
CID 106574900

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine (CID 107783843) is 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(Sc2ncc[nH]2)C1.
What is the InChIKey of 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine?
The InChIKey is HOGBAZNZZUQTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-9-4-5-10(13-2)11(8-9)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine?
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 107783843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).