4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine

C12H24N2O2 — CID 103339286

IUPAC4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine
SMILESC=CCN(CCOC)CC1(N)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-6-14(7-10-15-2)11-12(13)4-8-16-9-5-12/h3H,1,4-11,13H2,2H3
InChIKeyRVIBCWRCKQTYCH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.63
Rot. Bonds7

About 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine

4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine (PubChem CID 103339286) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine
PubChem CID103339286
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine
SMILESC=CCN(CCOC)CC1(N)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-6-14(7-10-15-2)11-12(13)4-8-16-9-5-12/h3H,1,4-11,13H2,2H3
InChIKeyRVIBCWRCKQTYCH-UHFFFAOYSA-N
XLogP0.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-methoxyethyl(prop-2-enyl)amino]methyl]cyclopentan-1-amine
CID 103339270
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine
CID 115295426
3-[[bis(2-methoxyethyl)amino]methyl]oxolan-3-amine
CID 64893649
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
CID 64893853
4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxan-4-amine
CID 115295435
N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 103339377
4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]oxan-4-amine
CID 113280948
4-(2-methoxyethyl)oxan-4-amine
CID 63220638
3-[[2-methoxyethyl(methyl)amino]methyl]oxolan-3-amine
CID 64893461
N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
CID 103339366
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine?
The IUPAC name of 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine (CID 103339286) is 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine is C=CCN(CCOC)CC1(N)CCOCC1.
What is the InChIKey of 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine?
The InChIKey is RVIBCWRCKQTYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-6-14(7-10-15-2)11-12(13)4-8-16-9-5-12/h3H,1,4-11,13H2,2H3.
What are the key properties of 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine?
4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103339286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).