4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine

C11H20N4 — CID 114691395

IUPAC4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cnnn2C)C1
InChIInChI=1S/C11H20N4/c1-3-8-4-5-10(12)9(6-8)11-7-13-14-15(11)2/h7-10H,3-6,12H2,1-2H3
InChIKeyBJJOUOQIHHSZLP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.44
Rot. Bonds2

About 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine

4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine (PubChem CID 114691395) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine
PubChem CID114691395
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cnnn2C)C1
InChIInChI=1S/C11H20N4/c1-3-8-4-5-10(12)9(6-8)11-7-13-14-15(11)2/h7-10H,3-6,12H2,1-2H3
InChIKeyBJJOUOQIHHSZLP-UHFFFAOYSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine (CID 114691395) is 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine is CCC1CCC(N)C(c2cnnn2C)C1.
What is the InChIKey of 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine?
The InChIKey is BJJOUOQIHHSZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-8-4-5-10(12)9(6-8)11-7-13-14-15(11)2/h7-10H,3-6,12H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine?
4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 114691395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).