2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine

C13H25N3O — CID 114272743

IUPAC2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cn(CC)cn1)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-16-8-10(15-9-16)11(14)12(17-7-2)13(3,4)5/h8-9,11-12H,6-7,14H2,1-5H3
InChIKeyOFQQEWFGRWWMDA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds5

About 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine

2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine (PubChem CID 114272743) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine
PubChem CID114272743
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cn(CC)cn1)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-6-16-8-10(15-9-16)11(14)12(17-7-2)13(3,4)5/h8-9,11-12H,6-7,14H2,1-5H3
InChIKeyOFQQEWFGRWWMDA-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 103036016
4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 103036018
2-Methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine
CID 102969739
(1R)-1-[3-[2-(2,2-difluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine
CID 105915909
1-[3-[2-(2,2-Difluoroethoxy)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 105915911
1-[3-[2-(2,2-Difluoroethoxy)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 105915918
(1R)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-1-amine
CID 113620145
3-Methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]butan-1-amine
CID 114706176
1-[amino(1-methyl-1H-imidazol-5-yl)methyl]-3,3-bis(fluoromethyl)cyclobutan-1-ol
CID 165595892
2-methyl-N-[1-(3-methylimidazol-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]propan-2-amine
CID 60062734
2-methyl-N-[1-(1-methylimidazol-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]propan-2-amine
CID 60062746
[3-Amino-1-(1-methylimidazol-4-yl)butan-2-yl] acetate
CID 66681012

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine (CID 114272743) is 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine is CCOC(C(N)c1cn(CC)cn1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is OFQQEWFGRWWMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-16-8-10(15-9-16)11(14)12(17-7-2)13(3,4)5/h8-9,11-12H,6-7,14H2,1-5H3.
What are the key properties of 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine?
2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethylimidazol-4-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114272743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).