2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine

C11H20N4 — CID 116641962

IUPAC2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
SMILESCC1CCC(n2cc(CCN)nn2)CC1
InChIInChI=1S/C11H20N4/c1-9-2-4-11(5-3-9)15-8-10(6-7-12)13-14-15/h8-9,11H,2-7,12H2,1H3
InChIKeyCUKUESQSQKQMGT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.53
Rot. Bonds3

About 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine

2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine (PubChem CID 116641962) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
PubChem CID116641962
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
SMILESCC1CCC(n2cc(CCN)nn2)CC1
InChIInChI=1S/C11H20N4/c1-9-2-4-11(5-3-9)15-8-10(6-7-12)13-14-15/h8-9,11H,2-7,12H2,1H3
InChIKeyCUKUESQSQKQMGT-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine
CID 116642225
4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
CID 113424708
2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
CID 116641788
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine
CID 66193062
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
4-[1-(4-methylcyclohexyl)triazol-4-yl]piperidine
CID 177025421
4-(1-bromoethyl)-1-(4-methylcyclohexyl)triazole
CID 81449692
cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine
CID 165447966
[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine
CID 121208761

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine (CID 116641962) is 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine is CC1CCC(n2cc(CCN)nn2)CC1.
What is the InChIKey of 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine?
The InChIKey is CUKUESQSQKQMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-2-4-11(5-3-9)15-8-10(6-7-12)13-14-15/h8-9,11H,2-7,12H2,1H3.
What are the key properties of 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine?
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116641962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).