N-(2,2-diethoxyethyl)oxan-4-amine

C11H23NO3 — CID 58168483

IUPACN-(2,2-diethoxyethyl)oxan-4-amine
SMILESCCOC(CNC1CCOCC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-11(15-4-2)9-12-10-5-7-13-8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyKCNGFGXNAPXZBD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.15
Rot. Bonds7

About N-(2,2-diethoxyethyl)oxan-4-amine

N-(2,2-diethoxyethyl)oxan-4-amine (PubChem CID 58168483) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)oxan-4-amine
PubChem CID58168483
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(2,2-diethoxyethyl)oxan-4-amine
SMILESCCOC(CNC1CCOCC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-11(15-4-2)9-12-10-5-7-13-8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyKCNGFGXNAPXZBD-UHFFFAOYSA-N
XLogP1.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)oxan-4-amine?
The IUPAC name of N-(2,2-diethoxyethyl)oxan-4-amine (CID 58168483) is N-(2,2-diethoxyethyl)oxan-4-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)oxan-4-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)oxan-4-amine is CCOC(CNC1CCOCC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)oxan-4-amine?
The InChIKey is KCNGFGXNAPXZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-14-11(15-4-2)9-12-10-5-7-13-8-6-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)oxan-4-amine?
N-(2,2-diethoxyethyl)oxan-4-amine has a molecular weight of 217.31 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)oxan-4-amine is sourced from PubChem (CID 58168483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).