4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine

C15H27N3 — CID 60873290

IUPAC4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(n2cc(C)cn2)C1
InChIInChI=1S/C15H27N3/c1-5-15(3,4)12-6-7-13(16)14(8-12)18-10-11(2)9-17-18/h9-10,12-14H,5-8,16H2,1-4H3
InChIKeyVPGCSBFPZALCSP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.30
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine (PubChem CID 60873290) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine
PubChem CID60873290
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(n2cc(C)cn2)C1
InChIInChI=1S/C15H27N3/c1-5-15(3,4)12-6-7-13(16)14(8-12)18-10-11(2)9-17-18/h9-10,12-14H,5-8,16H2,1-4H3
InChIKeyVPGCSBFPZALCSP-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpyrazol-1-yl)cycloheptan-1-amine
CID 60873668
4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexan-1-amine
CID 61226552
[2-(4-methylpyrazol-1-yl)cyclohexyl]methanamine
CID 60874415
2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63468218
[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine
CID 61226329
4-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 64660236
(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol;dihydrochloride
CID 122164506
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698
2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43592740
2-(4,5-dimethylimidazol-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 55064643
4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
CID 64628286
N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004642

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine (CID 60873290) is 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(n2cc(C)cn2)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is VPGCSBFPZALCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-15(3,4)12-6-7-13(16)14(8-12)18-10-11(2)9-17-18/h9-10,12-14H,5-8,16H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-2-(4-methylpyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.30, 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-(4-methylpyrazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 60873290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).