1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine

C15H28N4 — CID 104999912

IUPAC1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
SMILESCC(C)Cn1ncnc1CC(N)CC1CCCCC1
InChIInChI=1S/C15H28N4/c1-12(2)10-19-15(17-11-18-19)9-14(16)8-13-6-4-3-5-7-13/h11-14H,3-10,16H2,1-2H3
InChIKeyUHBLYRRVZILFOD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.77
Rot. Bonds6

About 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine

1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine (PubChem CID 104999912) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
PubChem CID104999912
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
SMILESCC(C)Cn1ncnc1CC(N)CC1CCCCC1
InChIInChI=1S/C15H28N4/c1-12(2)10-19-15(17-11-18-19)9-14(16)8-13-6-4-3-5-7-13/h11-14H,3-10,16H2,1-2H3
InChIKeyUHBLYRRVZILFOD-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103986800
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999994
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 115998010
[1-(3-ethylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105232904
5,5-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-amine
CID 114211589
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine
CID 113395337
5-ethoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 105160833
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229065

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine (CID 104999912) is 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine is CC(C)Cn1ncnc1CC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
The InChIKey is UHBLYRRVZILFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)10-19-15(17-11-18-19)9-14(16)8-13-6-4-3-5-7-13/h11-14H,3-10,16H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine?
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine is sourced from PubChem (CID 104999912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).