4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine

C15H27N3 — CID 16783199

IUPAC4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCc1cc(C)n(C2CC(C(C)(C)C)CCC2N)n1
InChIInChI=1S/C15H27N3/c1-10-8-11(2)18(17-10)14-9-12(15(3,4)5)6-7-13(14)16/h8,12-14H,6-7,9,16H2,1-5H3
InChIKeyVOCPBTZXELBNSW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds1

About 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine

4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine (PubChem CID 16783199) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine
PubChem CID16783199
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine
SMILESCc1cc(C)n(C2CC(C(C)(C)C)CCC2N)n1
InChIInChI=1S/C15H27N3/c1-10-8-11(2)18(17-10)14-9-12(15(3,4)5)6-7-13(14)16/h8,12-14H,6-7,9,16H2,1-5H3
InChIKeyVOCPBTZXELBNSW-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine (CID 16783199) is 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine is Cc1cc(C)n(C2CC(C(C)(C)C)CCC2N)n1.
What is the InChIKey of 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is VOCPBTZXELBNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10-8-11(2)18(17-10)14-9-12(15(3,4)5)6-7-13(14)16/h8,12-14H,6-7,9,16H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine?
4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 16783199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).