3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine

C14H25N3O — CID 65169925

IUPAC3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nccn2C)C1(C)CC
InChIInChI=1S/C14H25N3O/c1-5-14(3)11(9-12(14)18-6-2)16-10-13-15-7-8-17(13)4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyAHGBDSWMFBYOKJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.10
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 65169925) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID65169925
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2nccn2C)C1(C)CC
InChIInChI=1S/C14H25N3O/c1-5-14(3)11(9-12(14)18-6-2)16-10-13-15-7-8-17(13)4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyAHGBDSWMFBYOKJ-UHFFFAOYSA-N
XLogP2.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 65169503
3-ethoxy-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylcyclobutan-1-amine
CID 65169554
3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 113364995
3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 65167740
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 79237350
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (CID 65169925) is 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2nccn2C)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is AHGBDSWMFBYOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-14(3)11(9-12(14)18-6-2)16-10-13-15-7-8-17(13)4/h7-8,11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 65169925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).