3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine

C12H25NO3 — CID 104759373

IUPAC3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCOC(C)C)C1OC
InChIInChI=1S/C12H25NO3/c1-5-15-11-8-10(12(11)14-4)13-6-7-16-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyMZCHULMVKXRZPO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.19
Rot. Bonds8

About 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine

3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine (PubChem CID 104759373) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
PubChem CID104759373
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCOC(C)C)C1OC
InChIInChI=1S/C12H25NO3/c1-5-15-11-8-10(12(11)14-4)13-6-7-16-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyMZCHULMVKXRZPO-UHFFFAOYSA-N
XLogP1.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
CID 113365056
3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
CID 114110576
N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
CID 114099390
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990
3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
CID 113365383
3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 113364997
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 113364998
3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674725
2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113364970
3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 107850234
3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 113364966

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine (CID 104759373) is 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine is CCOC1CC(NCCOC(C)C)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
The InChIKey is MZCHULMVKXRZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-15-11-8-10(12(11)14-4)13-6-7-16-9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 104759373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).