4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine

C11H21N3 — CID 62442961

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCn1cnc(C)c1C
InChIInChI=1S/C11H21N3/c1-4-12-7-5-6-8-14-9-13-10(2)11(14)3/h9,12H,4-8H2,1-3H3
InChIKeyDFKDVCJTGIVFOM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.89
Rot. Bonds6

About 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine

4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine (PubChem CID 62442961) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine
PubChem CID62442961
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCn1cnc(C)c1C
InChIInChI=1S/C11H21N3/c1-4-12-7-5-6-8-14-9-13-10(2)11(14)3/h9,12H,4-8H2,1-3H3
InChIKeyDFKDVCJTGIVFOM-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4,5-dimethylimidazol-1-yl)-N-ethylpropan-1-amine
CID 62351281
1-decyl-4,5-dimethylimidazole
CID 116621792
1-butyl-4,5-dimethylimidazole
CID 18671206
1-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
1-(5-chloropentyl)-4,5-dimethylimidazole
CID 62349844
1-(3-bromopropyl)-4,5-dimethylimidazole
CID 62352321
6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
CID 62350906
N-[(4-chlorophenyl)methyl]-3-(4,5-dimethylimidazol-1-yl)propan-1-amine
CID 19429433
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
4-(4,5-dimethylimidazol-1-yl)butanenitrile
CID 62350743
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine
CID 62566217
4-(4,5-dimethylimidazol-1-yl)butanehydrazide
CID 63577264

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine (CID 62442961) is 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine is CCNCCCCn1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine?
The InChIKey is DFKDVCJTGIVFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-12-7-5-6-8-14-9-13-10(2)11(14)3/h9,12H,4-8H2,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine?
4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 62442961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).