1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine

C13H21N3 — CID 116661214

IUPAC1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCn1ccnc1CC(N)CC1=CCCCC1
InChIInChI=1S/C13H21N3/c1-16-8-7-15-13(16)10-12(14)9-11-5-3-2-4-6-11/h5,7-8,12H,2-4,6,9-10,14H2,1H3
InChIKeyFAPGSKBRECORGR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.18
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine

1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine (PubChem CID 116661214) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
PubChem CID116661214
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCn1ccnc1CC(N)CC1=CCCCC1
InChIInChI=1S/C13H21N3/c1-16-8-7-15-13(16)10-12(14)9-11-5-3-2-4-6-11/h5,7-8,12H,2-4,6,9-10,14H2,1H3
InChIKeyFAPGSKBRECORGR-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 116660154
1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116661199
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
CID 116661175
4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
CID 62962598
2-(cyclopenten-1-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 115762902
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661135
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
CID 116661188
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011503
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine (CID 116661214) is 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine is Cn1ccnc1CC(N)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine?
The InChIKey is FAPGSKBRECORGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-8-7-15-13(16)10-12(14)9-11-5-3-2-4-6-11/h5,7-8,12H,2-4,6,9-10,14H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine?
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 116661214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).