2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C15H25N3 — CID 28620947

IUPAC2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCC1=CCCCC1
InChIInChI=1S/C15H25N3/c1-12-15(13(2)18(3)17-12)11-16-10-9-14-7-5-4-6-8-14/h7,16H,4-6,8-11H2,1-3H3
InChIKeyFXKUHWZWHHAZMJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.02
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 28620947) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID28620947
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCC1=CCCCC1
InChIInChI=1S/C15H25N3/c1-12-15(13(2)18(3)17-12)11-16-10-9-14-7-5-4-6-8-14/h7,16H,4-6,8-11H2,1-3H3
InChIKeyFXKUHWZWHHAZMJ-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62998599
2-(cyclopenten-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 103845310
2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 115762902
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
2-(1,2,4-oxadiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113253278
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
CID 78993034
2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206598
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
1-(cyclohepten-1-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657055

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 28620947) is 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is FXKUHWZWHHAZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-15(13(2)18(3)17-12)11-16-10-9-14-7-5-4-6-8-14/h7,16H,4-6,8-11H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 28620947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).