2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

C15H27N3 — CID 82869975

IUPAC2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCn1ccc(CC2(N)CCCCC2C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-14(2,3)13-7-5-6-9-15(13,16)11-12-8-10-18(4)17-12/h8,10,13H,5-7,9,11,16H2,1-4H3
InChIKeyOFYYNHCDFPXVSX-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds2

About 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 82869975) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID82869975
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCn1ccc(CC2(N)CCCCC2C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-14(2,3)13-7-5-6-9-15(13,16)11-12-8-10-18(4)17-12/h8,10,13H,5-7,9,11,16H2,1-4H3
InChIKeyOFYYNHCDFPXVSX-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869673
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 82869975) is 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is Cn1ccc(CC2(N)CCCCC2C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is OFYYNHCDFPXVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2,3)13-7-5-6-9-15(13,16)11-12-8-10-18(4)17-12/h8,10,13H,5-7,9,11,16H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 82869975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).