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

C15H27N3 — CID 64778489

IUPAC[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCC(C)n1ccc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-3-13(2)18-10-7-14(17-18)11-15(12-16)8-5-4-6-9-15/h7,10,13H,3-6,8-9,11-12,16H2,1-2H3
InChIKeyVGZBZLHMILCCME-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.31
Rot. Bonds5

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

[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 64778489) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID64778489
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCCC(C)n1ccc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-3-13(2)18-10-7-14(17-18)11-15(12-16)8-5-4-6-9-15/h7,10,13H,3-6,8-9,11-12,16H2,1-2H3
InChIKeyVGZBZLHMILCCME-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65425655
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194729
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66025131
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopropylazepane
CID 79118218
1-[1-(aminomethyl)cyclopropyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116601130
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64785449

Frequently Asked Questions

What is the IUPAC name of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine (CID 64778489) is [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine is CCC(C)n1ccc(CC2(CN)CCCCC2)n1.
What is the InChIKey of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is VGZBZLHMILCCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-13(2)18-10-7-14(17-18)11-15(12-16)8-5-4-6-9-15/h7,10,13H,3-6,8-9,11-12,16H2,1-2H3.
What are the key properties of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine?
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 64778489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).