2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

C12H22N4 — CID 107046702

IUPAC2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1(N)Cc1cn(C)nn1
InChIInChI=1S/C12H22N4/c1-3-10-6-4-5-7-12(10,13)8-11-9-16(2)15-14-11/h9-10H,3-8,13H2,1-2H3
InChIKeySPCRLSQBXJDDBZ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.66
Rot. Bonds3

About 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 107046702) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID107046702
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCCC1(N)Cc1cn(C)nn1
InChIInChI=1S/C12H22N4/c1-3-10-6-4-5-7-12(10,13)8-11-9-16(2)15-14-11/h9-10H,3-8,13H2,1-2H3
InChIKeySPCRLSQBXJDDBZ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (CID 107046702) is 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is CCC1CCCCC1(N)Cc1cn(C)nn1.
What is the InChIKey of 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is SPCRLSQBXJDDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-10-6-4-5-7-12(10,13)8-11-9-16(2)15-14-11/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107046702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).