2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine

C12H23NO3 — CID 104676182

IUPAC2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
SMILESCCOC1C(NC)CC1OCC1CCCO1
InChIInChI=1S/C12H23NO3/c1-3-14-12-10(13-2)7-11(12)16-8-9-5-4-6-15-9/h9-13H,3-8H2,1-2H3
InChIKeyKJLPSNXOXDSNDX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.95
Rot. Bonds6

About 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine

2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine (PubChem CID 104676182) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
PubChem CID104676182
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
SMILESCCOC1C(NC)CC1OCC1CCCO1
InChIInChI=1S/C12H23NO3/c1-3-14-12-10(13-2)7-11(12)16-8-9-5-4-6-15-9/h9-13H,3-8H2,1-2H3
InChIKeyKJLPSNXOXDSNDX-UHFFFAOYSA-N
XLogP0.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-methyl-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
CID 104676439
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491
2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine
CID 104676142
2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine
CID 104676149
2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-ol
CID 114032146
4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
CID 62806705
[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428833
2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine
CID 114032274
2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane
CID 66343413
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
CID 66344041
ethyl 3-iodo-4-(oxan-2-ylmethoxy)cyclopentane-1-carboxylate
CID 114772682

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine (CID 104676182) is 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine is CCOC1C(NC)CC1OCC1CCCO1.
What is the InChIKey of 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine?
The InChIKey is KJLPSNXOXDSNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-14-12-10(13-2)7-11(12)16-8-9-5-4-6-15-9/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine?
2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine is sourced from PubChem (CID 104676182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).