1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine

C12H21N3 — CID 63913754

IUPAC1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine
SMILESCCNC(Cn1cnc(C)c1C)C1CC1
InChIInChI=1S/C12H21N3/c1-4-13-12(11-5-6-11)7-15-8-14-9(2)10(15)3/h8,11-13H,4-7H2,1-3H3
InChIKeyBETBZVXHLYBUSM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.89
Rot. Bonds5

About 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine

1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine (PubChem CID 63913754) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine
PubChem CID63913754
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine
SMILESCCNC(Cn1cnc(C)c1C)C1CC1
InChIInChI=1S/C12H21N3/c1-4-13-12(11-5-6-11)7-15-8-14-9(2)10(15)3/h8,11-13H,4-7H2,1-3H3
InChIKeyBETBZVXHLYBUSM-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912458
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62349669
1-[2-cyclopropyl-2-(ethylamino)ethyl]pyrimidin-2-one
CID 63915013
1-cyclopropyl-N-ethyl-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 63912643
3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
CID 104747287
N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine
CID 115888436
1-cyclohexyl-N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 104747419
2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol
CID 104753209
5-[2-cyclopentyl-2-(ethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104748238
1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62350728
1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine
CID 62350364
N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 63912853

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine (CID 63913754) is 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine is CCNC(Cn1cnc(C)c1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine?
The InChIKey is BETBZVXHLYBUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-13-12(11-5-6-11)7-15-8-14-9(2)10(15)3/h8,11-13H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine?
1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine is sourced from PubChem (CID 63913754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).