4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine

C17H31N3 — CID 43435105

IUPAC4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)Cn2cccn2)CC1
InChIInChI=1S/C17H31N3/c1-5-17(3,4)15-7-9-16(10-8-15)19-14(2)13-20-12-6-11-18-20/h6,11-12,14-16,19H,5,7-10,13H2,1-4H3
InChIKeyJXEJLDOSYMVFJJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.86
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine (PubChem CID 43435105) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
PubChem CID43435105
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)Cn2cccn2)CC1
InChIInChI=1S/C17H31N3/c1-5-17(3,4)15-7-9-16(10-8-15)19-14(2)13-20-12-6-11-18-20/h6,11-12,14-16,19H,5,7-10,13H2,1-4H3
InChIKeyJXEJLDOSYMVFJJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine (CID 43435105) is 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NC(C)Cn2cccn2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is JXEJLDOSYMVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-17(3,4)15-7-9-16(10-8-15)19-14(2)13-20-12-6-11-18-20/h6,11-12,14-16,19H,5,7-10,13H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43435105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).