3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

C12H22N4 — CID 115685704

IUPAC3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCc2n[nH]c(C)n2)C1
InChIInChI=1S/C12H22N4/c1-3-10-5-4-6-11(7-10)13-8-12-14-9(2)15-16-12/h10-11,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyGDNSODJFXFRDOU-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.17
Rot. Bonds4

About 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 115685704) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID115685704
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCc2n[nH]c(C)n2)C1
InChIInChI=1S/C12H22N4/c1-3-10-5-4-6-11(7-10)13-8-12-14-9(2)15-16-12/h10-11,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyGDNSODJFXFRDOU-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107042459
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 79032529
4-[[(3-ethylcyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 64742198
3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine
CID 142945001
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 103991470
3-ethyl-N-[(2,3,6-trichlorophenyl)methyl]cyclohexan-1-amine
CID 78999328
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 64748041
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 115685704) is 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is CCC1CCCC(NCc2n[nH]c(C)n2)C1.
What is the InChIKey of 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is GDNSODJFXFRDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-10-5-4-6-11(7-10)13-8-12-14-9(2)15-16-12/h10-11,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115685704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).