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

C11H19N3 — CID 11117858

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=C(CCNC2=NCCN2)CCCC1
InChIInChI=1S/C11H19N3/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)
InChIKeySWXLHCDRASKRJO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.43
Rot. Bonds3

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

N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11117858) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11117858
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC1=C(CCNC2=NCCN2)CCCC1
InChIInChI=1S/C11H19N3/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)
InChIKeySWXLHCDRASKRJO-UHFFFAOYSA-N
XLogP1.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-Cyclohexenylmethylimidazoline
CID 24839055
1-[2-(Cyclopenten-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471599
1-[2-(Cyclopenten-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109474727
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778450
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 111778451
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778452
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778453
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111836157
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 112433670
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 112433671

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11117858) is N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is C1=C(CCNC2=NCCN2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SWXLHCDRASKRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/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).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11117858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).