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

C13H25NO2 — CID 62718836

IUPACN-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CC2CCOCC2)CCOC1
InChIInChI=1S/C13H25NO2/c1-2-14-10-13(5-8-16-11-13)9-12-3-6-15-7-4-12/h12,14H,2-11H2,1H3
InChIKeyFHXJTLFDOCWWNA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.82
Rot. Bonds5

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

N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 62718836) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID62718836
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CC2CCOCC2)CCOC1
InChIInChI=1S/C13H25NO2/c1-2-14-10-13(5-8-16-11-13)9-12-3-6-15-7-4-12/h12,14H,2-11H2,1H3
InChIKeyFHXJTLFDOCWWNA-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62719768
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine
CID 114192526
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414
2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 62905055
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62907143
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 62718836) is N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(CC2CCOCC2)CCOC1.
What is the InChIKey of N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is FHXJTLFDOCWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-14-10-13(5-8-16-11-13)9-12-3-6-15-7-4-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62718836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).