2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine

C12H23N3 — CID 62441020

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(C(C)C)n1cnc(C)c1C
InChIInChI=1S/C12H23N3/c1-6-13-7-12(9(2)3)15-8-14-10(4)11(15)5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyDBJUMQVPEWTIFP-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.31
Rot. Bonds5

About 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine

2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 62441020) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID62441020
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(C(C)C)n1cnc(C)c1C
InChIInChI=1S/C12H23N3/c1-6-13-7-12(9(2)3)15-8-14-10(4)11(15)5/h8-9,12-13H,6-7H2,1-5H3
InChIKeyDBJUMQVPEWTIFP-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-dimethylimidazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62442969
N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine
CID 62447059
N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 62440976
3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62442929
N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 81019267
3-(4,5-dimethylimidazol-1-yl)heptan-4-ol
CID 62351287
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62447771
4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64727952
N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine
CID 62447366
2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227498
3-amino-2-(4,5-dimethylimidazol-1-yl)hexan-1-ol
CID 114357743
3-(4,5-dimethylimidazol-1-yl)-N-ethylpropan-1-amine
CID 62351281

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine (CID 62441020) is 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine is CCNCC(C(C)C)n1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is DBJUMQVPEWTIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-13-7-12(9(2)3)15-8-14-10(4)11(15)5/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine?
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62441020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).