2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine

C12H22N4 — CID 116642225

IUPAC2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine
SMILESCC1CCC(n2cc(CCN)nn2)CC1C
InChIInChI=1S/C12H22N4/c1-9-3-4-12(7-10(9)2)16-8-11(5-6-13)14-15-16/h8-10,12H,3-7,13H2,1-2H3
InChIKeyFFYQMCRBBTYPFS-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.78
Rot. Bonds3

About 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine

2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine (PubChem CID 116642225) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine
PubChem CID116642225
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine
SMILESCC1CCC(n2cc(CCN)nn2)CC1C
InChIInChI=1S/C12H22N4/c1-9-3-4-12(7-10(9)2)16-8-11(5-6-13)14-15-16/h8-10,12H,3-7,13H2,1-2H3
InChIKeyFFYQMCRBBTYPFS-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
CID 116641962
2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
CID 116641788
4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
CID 113424708
cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine
CID 165447966
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
CID 165444649
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
CID 116641620
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
1-(3-methylcyclopentyl)-4-[(4-methylphenoxy)methyl]triazole
CID 126836995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine (CID 116642225) is 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine is CC1CCC(n2cc(CCN)nn2)CC1C.
What is the InChIKey of 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine?
The InChIKey is FFYQMCRBBTYPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-3-4-12(7-10(9)2)16-8-11(5-6-13)14-15-16/h8-10,12H,3-7,13H2,1-2H3.
What are the key properties of 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine?
2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116642225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).