4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine

C17H31N3 — CID 61226552

IUPAC4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C17H31N3/c1-7-17(5,6)14-8-9-15(18)16(10-14)20-13(4)11(2)12(3)19-20/h14-16H,7-10,18H2,1-6H3
InChIKeyCZLKVXBWOGVGHK-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.91
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine (PubChem CID 61226552) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
PubChem CID61226552
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C17H31N3/c1-7-17(5,6)14-8-9-15(18)16(10-14)20-13(4)11(2)12(3)19-20/h14-16H,7-10,18H2,1-6H3
InChIKeyCZLKVXBWOGVGHK-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine (CID 61226552) is 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(n2nc(C)c(C)c2C)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is CZLKVXBWOGVGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-7-17(5,6)14-8-9-15(18)16(10-14)20-13(4)11(2)12(3)19-20/h14-16H,7-10,18H2,1-6H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.91, 3 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)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 61226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).