2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine

C14H27NO3 — CID 62719768

IUPAC2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CC2CCOCC2)CCOC1
InChIInChI=1S/C14H27NO3/c1-16-9-5-15-11-14(4-8-18-12-14)10-13-2-6-17-7-3-13/h13,15H,2-12H2,1H3
InChIKeyKCBFUQHYEIAFEE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.45
Rot. Bonds7

About 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine

2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 62719768) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID62719768
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CC2CCOCC2)CCOC1
InChIInChI=1S/C14H27NO3/c1-16-9-5-15-11-14(4-8-18-12-14)10-13-2-6-17-7-3-13/h13,15H,2-12H2,1H3
InChIKeyKCBFUQHYEIAFEE-UHFFFAOYSA-N
XLogP1.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(oxan-4-ylmethyl)cyclobutyl]methyl]ethanamine
CID 65196724
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718836
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642
2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900401
N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62904892
2-methoxy-N-[[3-[(4-methylphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62718692
2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 62905055
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79924099
N-[[4-(2-ethylhexyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62906281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 62719768) is 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is COCCNCC1(CC2CCOCC2)CCOC1.
What is the InChIKey of 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is KCBFUQHYEIAFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-16-9-5-15-11-14(4-8-18-12-14)10-13-2-6-17-7-3-13/h13,15H,2-12H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 257.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62719768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).