N-ethyl-4,6-dimethoxyoxan-3-amine

C9H19NO3 — CID 14683587

IUPACN-ethyl-4,6-dimethoxyoxan-3-amine
SMILESCCNC1COC(OC)CC1OC
InChIInChI=1S/C9H19NO3/c1-4-10-7-6-13-9(12-3)5-8(7)11-2/h7-10H,4-6H2,1-3H3
InChIKeyWHILQIMYAXDVDK-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.37
Rot. Bonds4

About N-ethyl-4,6-dimethoxyoxan-3-amine

N-ethyl-4,6-dimethoxyoxan-3-amine (PubChem CID 14683587) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-ethyl-4,6-dimethoxyoxan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethoxyoxan-3-amine
PubChem CID14683587
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-ethyl-4,6-dimethoxyoxan-3-amine
SMILESCCNC1COC(OC)CC1OC
InChIInChI=1S/C9H19NO3/c1-4-10-7-6-13-9(12-3)5-8(7)11-2/h7-10H,4-6H2,1-3H3
InChIKeyWHILQIMYAXDVDK-UHFFFAOYSA-N
XLogP0.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethoxyoxan-3-amine?
The IUPAC name of N-ethyl-4,6-dimethoxyoxan-3-amine (CID 14683587) is N-ethyl-4,6-dimethoxyoxan-3-amine.
What is the SMILES notation for N-ethyl-4,6-dimethoxyoxan-3-amine?
The canonical SMILES for N-ethyl-4,6-dimethoxyoxan-3-amine is CCNC1COC(OC)CC1OC.
What is the InChIKey of N-ethyl-4,6-dimethoxyoxan-3-amine?
The InChIKey is WHILQIMYAXDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-10-7-6-13-9(12-3)5-8(7)11-2/h7-10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-4,6-dimethoxyoxan-3-amine?
N-ethyl-4,6-dimethoxyoxan-3-amine has a molecular weight of 189.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethoxyoxan-3-amine is sourced from PubChem (CID 14683587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).