[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine

C18H33N3 — CID 61226329

IUPAC[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C18H33N3/c1-7-18(5,6)16-9-8-15(11-19)17(10-16)21-14(4)12(2)13(3)20-21/h15-17H,7-11,19H2,1-6H3
InChIKeyDVEOECNFOCOOIK-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.16
Rot. Bonds4

About [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine (PubChem CID 61226329) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine
PubChem CID61226329
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(n2nc(C)c(C)c2C)C1
InChIInChI=1S/C18H33N3/c1-7-18(5,6)16-9-8-15(11-19)17(10-16)21-14(4)12(2)13(3)20-21/h15-17H,7-11,19H2,1-6H3
InChIKeyDVEOECNFOCOOIK-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.16
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)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine (CID 61226329) is [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(n2nc(C)c(C)c2C)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine?
The InChIKey is DVEOECNFOCOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-18(5,6)16-9-8-15(11-19)17(10-16)21-14(4)12(2)13(3)20-21/h15-17H,7-11,19H2,1-6H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(3,4,5-trimethylpyrazol-1-yl)cyclohexyl]methanamine has a molecular weight of 291.48 g/mol, XLogP of 4.16, 4 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)cyclohexyl]methanamine is sourced from PubChem (CID 61226329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).