(3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine

C9H19NO3 — CID 11084629

IUPAC(3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine
SMILESCCN[C@H]1CO[C@@H](OC)C[C@@H]1OC
InChIInChI=1S/C9H19NO3/c1-4-10-7-6-13-9(12-3)5-8(7)11-2/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyWHILQIMYAXDVDK-XHNCKOQMSA-N
MW189.25 g/mol
LogP0.37
Rot. Bonds4

About (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine

(3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine (PubChem CID 11084629) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine.

Molecular Properties

Compound Name(3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine
PubChem CID11084629
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine
SMILESCCN[C@H]1CO[C@@H](OC)C[C@@H]1OC
InChIInChI=1S/C9H19NO3/c1-4-10-7-6-13-9(12-3)5-8(7)11-2/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyWHILQIMYAXDVDK-XHNCKOQMSA-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

Analyze (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine?
The IUPAC name of (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine (CID 11084629) is (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine.
What is the SMILES notation for (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine?
The canonical SMILES for (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine is CCN[C@H]1CO[C@@H](OC)C[C@@H]1OC.
What is the InChIKey of (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine?
The InChIKey is WHILQIMYAXDVDK-XHNCKOQMSA-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/t7-,8-,9+/m0/s1.
What are the key properties of (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine?
(3S,4S,6R)-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 (3S,4S,6R)-N-ethyl-4,6-dimethoxyoxan-3-amine is sourced from PubChem (CID 11084629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).