[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine

C17H31N3 — CID 81011938

IUPAC[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C17H31N3/c1-12(2)14-5-6-15(11-18)16(9-14)10-17-7-8-20(19-17)13(3)4/h7-8,12-16H,5-6,9-11,18H2,1-4H3
InChIKeyGWYKAAITMUXLDG-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.65
Rot. Bonds5

About [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine

[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 81011938) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID81011938
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C17H31N3/c1-12(2)14-5-6-15(11-18)16(9-14)10-17-7-8-20(19-17)13(3)4/h7-8,12-16H,5-6,9-11,18H2,1-4H3
InChIKeyGWYKAAITMUXLDG-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine (CID 81011938) is [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine is CC(C)C1CCC(CN)C(Cc2ccn(C(C)C)n2)C1.
What is the InChIKey of [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is GWYKAAITMUXLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-12(2)14-5-6-15(11-18)16(9-14)10-17-7-8-20(19-17)13(3)4/h7-8,12-16H,5-6,9-11,18H2,1-4H3.
What are the key properties of [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 277.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).