(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine

C11H21N3O — CID 71716729

IUPAC(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
SMILESCc1cn(C)c(OCC[C@@H](C)N(C)C)n1
InChIInChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyCTHZDJIEURVZQA-SNVBAGLBSA-N
MW211.31 g/mol
LogP1.45
Rot. Bonds5

About (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine

(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine (PubChem CID 71716729) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
PubChem CID71716729
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
SMILESCc1cn(C)c(OCC[C@@H](C)N(C)C)n1
InChIInChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyCTHZDJIEURVZQA-SNVBAGLBSA-N
XLogP1.45
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
(2r)-N,N-Dimethyl-4-(1-Methylimidazol-2-Yl)oxy-Butan-2-Amine
CID 70701321
ethyl N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]carbamate
CID 15065568
ethyl N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]carbamate
CID 15065570
1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
1H-Imidazole, 1-ethyl-4-methyl
CID 529331
1-Ethyl-5-methyl-1h-imidazole
CID 529333
1H-Imidazole, 4-methyl-1-pentyl
CID 529337
1H-Imidazole, 5-methyl-1-pentyl
CID 529339
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
The IUPAC name of (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine (CID 71716729) is (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine.
What is the SMILES notation for (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
The canonical SMILES for (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine is Cc1cn(C)c(OCC[C@@H](C)N(C)C)n1.
What is the InChIKey of (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
The InChIKey is CTHZDJIEURVZQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine?
(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 71716729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).