1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine

C17H32N4 — CID 103277941

IUPAC1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1C1CC(C)=CC(C)C1
InChIInChI=1S/C17H32N4/c1-5-20(6-2)7-8-21-16(12-19-17(21)18)15-10-13(3)9-14(4)11-15/h9,13,15-16H,5-8,10-12H2,1-4H3,(H2,18,19)
InChIKeyCQZYKGGOQCFFFL-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine

1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 103277941) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine
PubChem CID103277941
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1C1CC(C)=CC(C)C1
InChIInChI=1S/C17H32N4/c1-5-20(6-2)7-8-21-16(12-19-17(21)18)15-10-13(3)9-14(4)11-15/h9,13,15-16H,5-8,10-12H2,1-4H3,(H2,18,19)
InChIKeyCQZYKGGOQCFFFL-UHFFFAOYSA-N
XLogP2.32
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine with MolForge

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Related Compounds

1-[(Z)-4-methylicos-11-en-3-yl]-4,5-dihydroimidazole
CID 70564309
2-[2-[methyl-[(10Z,13Z,25Z)-23-methylcyclotetratriaconta-10,13,25-trien-1-yl]amino]ethyl]guanidine
CID 143992124
4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine
CID 145462044
(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine
CID 163694350
5-Cyclohex-3-en-1-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496582
5-Cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine
CID 79497267
5-Cyclohex-3-en-1-yl-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79498350
1-Cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine
CID 79498881
5-Cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79509219
5-Cyclohex-3-en-1-yl-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79509489
5-Cyclohex-3-en-1-yl-1-propyl-4,5-dihydroimidazol-2-amine
CID 79510059
5-Cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine (CID 103277941) is 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine is CCN(CC)CCN1C(N)=NCC1C1CC(C)=CC(C)C1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is CQZYKGGOQCFFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-20(6-2)7-8-21-16(12-19-17(21)18)15-10-13(3)9-14(4)11-15/h9,13,15-16H,5-8,10-12H2,1-4H3,(H2,18,19).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine?
1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-(3,5-dimethylcyclohex-3-en-1-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 103277941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).