N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine

C7H15NO3 — CID 22160579

IUPACN-methoxy-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCONC1COC(C)(C)OC1
InChIInChI=1S/C7H15NO3/c1-7(2)10-4-6(5-11-7)8-9-3/h6,8H,4-5H2,1-3H3
InChIKeyXRPJJXXXXLIKRL-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.29
Rot. Bonds2

About N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine

N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 22160579) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-methoxy-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID22160579
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN-methoxy-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCONC1COC(C)(C)OC1
InChIInChI=1S/C7H15NO3/c1-7(2)10-4-6(5-11-7)8-9-3/h6,8H,4-5H2,1-3H3
InChIKeyXRPJJXXXXLIKRL-UHFFFAOYSA-N
XLogP0.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.29
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-methoxy-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine (CID 22160579) is N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine is CONC1COC(C)(C)OC1.
What is the InChIKey of N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is XRPJJXXXXLIKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2)10-4-6(5-11-7)8-9-3/h6,8H,4-5H2,1-3H3.
What are the key properties of N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine?
N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 161.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 22160579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).