N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride

C11H20ClN3 — CID 11117857

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
SMILESC1=C(CCNC2=[NH+]CCN2)CCCC1.[Cl-]
InChIInChI=1S/C11H19N3.ClH/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11;/h4H,1-3,5-9H2,(H2,12,13,14);1H
InChIKeyVTXQGWGZLNJGNR-UHFFFAOYSA-N
MW229.75 g/mol
LogP-3.49
Rot. Bonds3

About N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride

N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride (PubChem CID 11117857) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
PubChem CID11117857
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
SMILESC1=C(CCNC2=[NH+]CCN2)CCCC1.[Cl-]
InChIInChI=1S/C11H19N3.ClH/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11;/h4H,1-3,5-9H2,(H2,12,13,14);1H
InChIKeyVTXQGWGZLNJGNR-UHFFFAOYSA-N
XLogP-3.49
TPSA38.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 5-3.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
N-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 172346772
N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride
CID 10946942
N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 10946943
[Amino-(heptan-2-ylamino)methylidene]-[2-(cyclohexen-1-yl)ethyl]azanium chloride
CID 11033974
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11117858
1-[2-(Cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
2-[2-(Cyclohexen-1-yl)ethyl]-1-ethylguanidine
CID 62361344
1-[2-(Cyclohexen-1-yl)ethyl]-2-propylguanidine
CID 62361345
1-[2-(Cyclohexen-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 62361565
2-[2-(Cyclohexen-1-yl)ethyl]-1-cyclopentylguanidine
CID 62368399

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride (CID 11117857) is N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride is C1=C(CCNC2=[NH+]CCN2)CCCC1.[Cl-].
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
The InChIKey is VTXQGWGZLNJGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.ClH/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11;/h4H,1-3,5-9H2,(H2,12,13,14);1H.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride?
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride has a molecular weight of 229.75 g/mol, XLogP of -3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium-2-amine chloride is sourced from PubChem (CID 11117857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).