1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine

C13H25NO2 — CID 115724018

IUPAC1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CCOC1)C1CCOCC1
InChIInChI=1S/C13H25NO2/c1-10(12-3-6-15-7-4-12)14-11(2)13-5-8-16-9-13/h10-14H,3-9H2,1-2H3
InChIKeyQOENYVVXSWJGBP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.82
Rot. Bonds4

About 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine

1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine (PubChem CID 115724018) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
PubChem CID115724018
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CCOC1)C1CCOCC1
InChIInChI=1S/C13H25NO2/c1-10(12-3-6-15-7-4-12)14-11(2)13-5-8-16-9-13/h10-14H,3-9H2,1-2H3
InChIKeyQOENYVVXSWJGBP-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine (CID 115724018) is 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine is CC(NC(C)C1CCOC1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine?
The InChIKey is QOENYVVXSWJGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(12-3-6-15-7-4-12)14-11(2)13-5-8-16-9-13/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine?
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine is sourced from PubChem (CID 115724018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).