1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine

C11H21N3 — CID 63968362

IUPAC1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1nccn1CC
InChIInChI=1S/C11H21N3/c1-5-9(3)10(12-4)11-13-7-8-14(11)6-2/h7-10,12H,5-6H2,1-4H3
InChIKeyNUOPLVSTPPUSAS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine

1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine (PubChem CID 63968362) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
PubChem CID63968362
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1nccn1CC
InChIInChI=1S/C11H21N3/c1-5-9(3)10(12-4)11-13-7-8-14(11)6-2/h7-10,12H,5-6H2,1-4H3
InChIKeyNUOPLVSTPPUSAS-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79495582
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 115860159
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593
[2-ethoxy-1-(1-ethylimidazol-2-yl)propyl]hydrazine
CID 105222708
2-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 64533396
[1-(1-ethylimidazol-2-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245886
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine (CID 63968362) is 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1nccn1CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is NUOPLVSTPPUSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-9(3)10(12-4)11-13-7-8-14(11)6-2/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine?
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 63968362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).