2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine

C13H21N3 — CID 116661175

IUPAC2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1C(N)CC1=CCCCC1
InChIInChI=1S/C13H21N3/c1-2-16-9-8-15-13(16)12(14)10-11-6-4-3-5-7-11/h6,8-9,12H,2-5,7,10,14H2,1H3
InChIKeyBBFZRVVNYAYFSB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.79
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine

2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 116661175) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
PubChem CID116661175
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1C(N)CC1=CCCCC1
InChIInChI=1S/C13H21N3/c1-2-16-9-8-15-13(16)12(14)10-11-6-4-3-5-7-11/h6,8-9,12H,2-5,7,10,14H2,1H3
InChIKeyBBFZRVVNYAYFSB-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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-methylimidazol-2-yl)propan-2-amine
CID 116661214
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
CID 116661377
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one
CID 62939867
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 63970215
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine
CID 115860166
3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
CID 116661348
cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone
CID 103450449

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine (CID 116661175) is 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1C(N)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is BBFZRVVNYAYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16-9-8-15-13(16)12(14)10-11-6-4-3-5-7-11/h6,8-9,12H,2-5,7,10,14H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine?
2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 116661175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).