[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine

C14H25N3 — CID 81010305

IUPAC[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCCn1cc(CC2CC(C)CCC2CN)cn1
InChIInChI=1S/C14H25N3/c1-3-17-10-12(9-16-17)7-14-6-11(2)4-5-13(14)8-15/h9-11,13-14H,3-8,15H2,1-2H3
InChIKeyRVHOYDAHSLGXKX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.46
Rot. Bonds4

About [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine

[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81010305) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81010305
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
SMILESCCn1cc(CC2CC(C)CCC2CN)cn1
InChIInChI=1S/C14H25N3/c1-3-17-10-12(9-16-17)7-14-6-11(2)4-5-13(14)8-15/h9-11,13-14H,3-8,15H2,1-2H3
InChIKeyRVHOYDAHSLGXKX-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032362
N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
CID 55041287
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128171
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
2-[(1-ethylpyrazol-4-yl)methyl]cyclopentan-1-ol
CID 62127889
4-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 83261894
[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine
CID 81011185
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine (CID 81010305) is [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine is CCn1cc(CC2CC(C)CCC2CN)cn1.
What is the InChIKey of [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is RVHOYDAHSLGXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-17-10-12(9-16-17)7-14-6-11(2)4-5-13(14)8-15/h9-11,13-14H,3-8,15H2,1-2H3.
What are the key properties of [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81010305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).