[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine

C14H26N4 — CID 81012981

IUPAC[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2ncnn2CC)C1
InChIInChI=1S/C14H26N4/c1-3-11-5-6-12(9-15)13(7-11)8-14-16-10-17-18(14)4-2/h10-13H,3-9,15H2,1-2H3
InChIKeyBCKCOOXANFFSPX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.24
Rot. Bonds5

About [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine

[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 81012981) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID81012981
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2ncnn2CC)C1
InChIInChI=1S/C14H26N4/c1-3-11-5-6-12(9-15)13(7-11)8-14-16-10-17-18(14)4-2/h10-13H,3-9,15H2,1-2H3
InChIKeyBCKCOOXANFFSPX-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012067
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033831
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81010248
[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012661
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011445
[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011684
[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012327

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (CID 81012981) is [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is CCC1CCC(CN)C(Cc2ncnn2CC)C1.
What is the InChIKey of [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is BCKCOOXANFFSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-11-5-6-12(9-15)13(7-11)8-14-16-10-17-18(14)4-2/h10-13H,3-9,15H2,1-2H3.
What are the key properties of [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81012981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).