N,2-dimethoxy-6-methyloxan-4-amine

C8H17NO3 — CID 123245320

IUPACN,2-dimethoxy-6-methyloxan-4-amine
SMILESCONC1CC(C)OC(OC)C1
InChIInChI=1S/C8H17NO3/c1-6-4-7(9-11-3)5-8(10-2)12-6/h6-9H,4-5H2,1-3H3
InChIKeyHWVLGLWMJKLLDY-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.68
Rot. Bonds3

About N,2-dimethoxy-6-methyloxan-4-amine

N,2-dimethoxy-6-methyloxan-4-amine (PubChem CID 123245320) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N,2-dimethoxy-6-methyloxan-4-amine.

Molecular Properties

Compound NameN,2-dimethoxy-6-methyloxan-4-amine
PubChem CID123245320
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN,2-dimethoxy-6-methyloxan-4-amine
SMILESCONC1CC(C)OC(OC)C1
InChIInChI=1S/C8H17NO3/c1-6-4-7(9-11-3)5-8(10-2)12-6/h6-9H,4-5H2,1-3H3
InChIKeyHWVLGLWMJKLLDY-UHFFFAOYSA-N
XLogP0.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethoxy-6-methyloxan-4-amine?
The IUPAC name of N,2-dimethoxy-6-methyloxan-4-amine (CID 123245320) is N,2-dimethoxy-6-methyloxan-4-amine.
What is the SMILES notation for N,2-dimethoxy-6-methyloxan-4-amine?
The canonical SMILES for N,2-dimethoxy-6-methyloxan-4-amine is CONC1CC(C)OC(OC)C1.
What is the InChIKey of N,2-dimethoxy-6-methyloxan-4-amine?
The InChIKey is HWVLGLWMJKLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6-4-7(9-11-3)5-8(10-2)12-6/h6-9H,4-5H2,1-3H3.
What are the key properties of N,2-dimethoxy-6-methyloxan-4-amine?
N,2-dimethoxy-6-methyloxan-4-amine has a molecular weight of 175.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-6-methyloxan-4-amine is sourced from PubChem (CID 123245320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).