1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine

C14H26N4 — CID 114161129

IUPAC1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(C2CC(C)CC(C)C2)nn1
InChIInChI=1S/C14H26N4/c1-4-5-13(15)14-9-18(17-16-14)12-7-10(2)6-11(3)8-12/h9-13H,4-8,15H2,1-3H3
InChIKeyXPGIFYVUSAAYEH-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine

1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine (PubChem CID 114161129) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine
PubChem CID114161129
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(C2CC(C)CC(C)C2)nn1
InChIInChI=1S/C14H26N4/c1-4-5-13(15)14-9-18(17-16-14)12-7-10(2)6-11(3)8-12/h9-13H,4-8,15H2,1-3H3
InChIKeyXPGIFYVUSAAYEH-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(Cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine
CID 51354870
2-[4-(1-Aminocyclohexyl)triazol-1-yl]hexanenitrile
CID 54592162
4-(4-Cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine
CID 31075005
4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46990234
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46996926
1-[4-[(S)-amino-[4-(trifluoromethyl)cyclohexyl]methyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 89621267
cis-(1R,6S)-2,2-difluoro-6-[4-(2-methylpropyl)triazol-1-yl]cyclohexan-1-amine
CID 156745900
N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 62755610
N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182164
N-[(4,4-difluorocyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182224
(3-Propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105182231
N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105182242

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine (CID 114161129) is 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine is CCCC(N)c1cn(C2CC(C)CC(C)C2)nn1.
What is the InChIKey of 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine?
The InChIKey is XPGIFYVUSAAYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-5-13(15)14-9-18(17-16-14)12-7-10(2)6-11(3)8-12/h9-13H,4-8,15H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine?
1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylcyclohexyl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 114161129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).