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

C11H20N4O — CID 116641788

IUPAC2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
SMILESCOC1CCCC(n2cc(CCN)nn2)C1
InChIInChI=1S/C11H20N4O/c1-16-11-4-2-3-10(7-11)15-8-9(5-6-12)13-14-15/h8,10-11H,2-7,12H2,1H3
InChIKeyAOPVHJZCYWMKNG-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.91
Rot. Bonds4

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

2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine (PubChem CID 116641788) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
PubChem CID116641788
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine
SMILESCOC1CCCC(n2cc(CCN)nn2)C1
InChIInChI=1S/C11H20N4O/c1-16-11-4-2-3-10(7-11)15-8-9(5-6-12)13-14-15/h8,10-11H,2-7,12H2,1H3
InChIKeyAOPVHJZCYWMKNG-UHFFFAOYSA-N
XLogP0.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine
CID 66193890
1-(3-methoxycyclohexyl)triazol-4-amine
CID 79542192
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine
CID 116642225
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
CID 116641962
1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114202271
4-(1-chloroethyl)-1-(3-methoxycyclohexyl)triazole
CID 81450006
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
4-(3-chloropropyl)-1-(3-methylsulfonylcyclohexyl)triazole
CID 113374605
[1-(3-methoxycyclohexyl)pyrazol-4-yl]boronic acid
CID 164660683

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine (CID 116641788) is 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine is COC1CCCC(n2cc(CCN)nn2)C1.
What is the InChIKey of 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine?
The InChIKey is AOPVHJZCYWMKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-11-4-2-3-10(7-11)15-8-9(5-6-12)13-14-15/h8,10-11H,2-7,12H2,1H3.
What are the key properties of 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine?
2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxycyclohexyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116641788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).