2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

C13H21N3 — CID 62998599

IUPAC2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCn1cncc1CNCCC1=CCCCC1
InChIInChI=1S/C13H21N3/c1-16-11-15-10-13(16)9-14-8-7-12-5-3-2-4-6-12/h5,10-11,14H,2-4,6-9H2,1H3
InChIKeyQJQJUVMBFLMIJY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.40
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 62998599) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID62998599
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCn1cncc1CNCCC1=CCCCC1
InChIInChI=1S/C13H21N3/c1-16-11-15-10-13(16)9-14-8-7-12-5-3-2-4-6-12/h5,10-11,14H,2-4,6-9H2,1H3
InChIKeyQJQJUVMBFLMIJY-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.40
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-(cyclopenten-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 103845310
2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28620947
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 63031421
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
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-(cyclohexen-1-yl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 102536081
2-(cyclopenten-1-yl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 106174050
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 66118770
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
CID 102536285

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (CID 62998599) is 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine is Cn1cncc1CNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is QJQJUVMBFLMIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-11-15-10-13(16)9-14-8-7-12-5-3-2-4-6-12/h5,10-11,14H,2-4,6-9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.40, 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-[(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62998599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).