1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine

C12H25NO3 — CID 116765540

IUPAC1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine
SMILESCCCOCC(N)C1(OCC)CCOCC1
InChIInChI=1S/C12H25NO3/c1-3-7-15-10-11(13)12(16-4-2)5-8-14-9-6-12/h11H,3-10,13H2,1-2H3
InChIKeyRAWPTEZVIBYGNQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds7

About 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine

1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine (PubChem CID 116765540) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine
PubChem CID116765540
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine
SMILESCCCOCC(N)C1(OCC)CCOCC1
InChIInChI=1S/C12H25NO3/c1-3-7-15-10-11(13)12(16-4-2)5-8-14-9-6-12/h11H,3-10,13H2,1-2H3
InChIKeyRAWPTEZVIBYGNQ-UHFFFAOYSA-N
XLogP1.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine 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

1-(1-methoxycyclobutyl)-2-propoxyethanamine
CID 116714130
2-ethoxy-1-(1-ethoxycyclohexyl)ethanamine
CID 116763540
1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine
CID 116765527
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
CID 107896923
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
[1-(4-ethoxyoxan-4-yl)-3-methylhexyl]hydrazine
CID 105276851
1-(4-ethoxyoxan-4-yl)propylhydrazine
CID 105276867
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine (CID 116765540) is 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine is CCCOCC(N)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine?
The InChIKey is RAWPTEZVIBYGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-7-15-10-11(13)12(16-4-2)5-8-14-9-6-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine?
1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine has a molecular weight of 231.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine is sourced from PubChem (CID 116765540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).