2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine

C13H25N3O — CID 116721352

IUPAC2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
SMILESCCNC(c1nccn1C)C(OCC)C(C)C
InChIInChI=1S/C13H25N3O/c1-6-14-11(12(10(3)4)17-7-2)13-15-8-9-16(13)5/h8-12,14H,6-7H2,1-5H3
InChIKeyRMZCZOZFZFRWTO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.13
Rot. Bonds7

About 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine

2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 116721352) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID116721352
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
SMILESCCNC(c1nccn1C)C(OCC)C(C)C
InChIInChI=1S/C13H25N3O/c1-6-14-11(12(10(3)4)17-7-2)13-15-8-9-16(13)5/h8-12,14H,6-7H2,1-5H3
InChIKeyRMZCZOZFZFRWTO-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
2-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 64533396
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine
CID 112744067
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
CID 116712316
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
CID 65136608
2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103131385

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine (CID 116721352) is 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine is CCNC(c1nccn1C)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is RMZCZOZFZFRWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-14-11(12(10(3)4)17-7-2)13-15-8-9-16(13)5/h8-12,14H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine?
2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 116721352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).