4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine

C14H26N4 — CID 113424708

IUPAC4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
SMILESCCC1CCC(n2cc(CCCCN)nn2)CC1
InChIInChI=1S/C14H26N4/c1-2-12-6-8-14(9-7-12)18-11-13(16-17-18)5-3-4-10-15/h11-12,14H,2-10,15H2,1H3
InChIKeyQMDYIWBIKKPUHP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.70
Rot. Bonds6

About 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine

4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine (PubChem CID 113424708) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
PubChem CID113424708
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
SMILESCCC1CCC(n2cc(CCCCN)nn2)CC1
InChIInChI=1S/C14H26N4/c1-2-12-6-8-14(9-7-12)18-11-13(16-17-18)5-3-4-10-15/h11-12,14H,2-10,15H2,1H3
InChIKeyQMDYIWBIKKPUHP-UHFFFAOYSA-N
XLogP2.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
CID 114778694
2-[1-(4-methylcyclohexyl)triazol-4-yl]ethanamine
CID 116641962
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
2-[1-(3,4-dimethylcyclohexyl)triazol-4-yl]ethanamine
CID 116642225
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
cis-(1S,3R)-3-(4-ethyltriazol-1-yl)cyclopentan-1-amine
CID 165447966
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propan-1-amine
CID 106220792
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine
CID 106220794
4-(3-chloropropyl)-1-(3-methylsulfonylcyclohexyl)triazole
CID 113374605

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine?
The IUPAC name of 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine (CID 113424708) is 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine is CCC1CCC(n2cc(CCCCN)nn2)CC1.
What is the InChIKey of 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine?
The InChIKey is QMDYIWBIKKPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-12-6-8-14(9-7-12)18-11-13(16-17-18)5-3-4-10-15/h11-12,14H,2-10,15H2,1H3.
What are the key properties of 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine?
4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 113424708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).