1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine

C12H22N4 — CID 114420063

IUPAC1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine
SMILESCCC1CCCC(n2cc(C(C)N)nn2)C1
InChIInChI=1S/C12H22N4/c1-3-10-5-4-6-11(7-10)16-8-12(9(2)13)14-15-16/h8-11H,3-7,13H2,1-2H3
InChIKeyLIFBQYUAECNZTJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.44
Rot. Bonds3

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

1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine (PubChem CID 114420063) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine
PubChem CID114420063
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine
SMILESCCC1CCCC(n2cc(C(C)N)nn2)C1
InChIInChI=1S/C12H22N4/c1-3-10-5-4-6-11(7-10)16-8-12(9(2)13)14-15-16/h8-11H,3-7,13H2,1-2H3
InChIKeyLIFBQYUAECNZTJ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine (CID 114420063) is 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine is CCC1CCCC(n2cc(C(C)N)nn2)C1.
What is the InChIKey of 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine?
The InChIKey is LIFBQYUAECNZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-10-5-4-6-11(7-10)16-8-12(9(2)13)14-15-16/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine?
1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114420063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).