N,1,1-trimethoxypropan-2-imine

C6H13NO3 — CID 118010622

IUPACN,1,1-trimethoxypropan-2-imine
SMILESCON=C(C)C(OC)OC
InChIInChI=1S/C6H13NO3/c1-5(7-10-4)6(8-2)9-3/h6H,1-4H3
InChIKeyXUGKNJYLKSWWPI-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.63
Rot. Bonds4

About N,1,1-trimethoxypropan-2-imine

N,1,1-trimethoxypropan-2-imine (PubChem CID 118010622) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N,1,1-trimethoxypropan-2-imine.

Molecular Properties

Compound NameN,1,1-trimethoxypropan-2-imine
PubChem CID118010622
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN,1,1-trimethoxypropan-2-imine
SMILESCON=C(C)C(OC)OC
InChIInChI=1S/C6H13NO3/c1-5(7-10-4)6(8-2)9-3/h6H,1-4H3
InChIKeyXUGKNJYLKSWWPI-UHFFFAOYSA-N
XLogP0.63
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,1-trimethoxypropan-2-imine?
The IUPAC name of N,1,1-trimethoxypropan-2-imine (CID 118010622) is N,1,1-trimethoxypropan-2-imine.
What is the SMILES notation for N,1,1-trimethoxypropan-2-imine?
The canonical SMILES for N,1,1-trimethoxypropan-2-imine is CON=C(C)C(OC)OC.
What is the InChIKey of N,1,1-trimethoxypropan-2-imine?
The InChIKey is XUGKNJYLKSWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(7-10-4)6(8-2)9-3/h6H,1-4H3.
What are the key properties of N,1,1-trimethoxypropan-2-imine?
N,1,1-trimethoxypropan-2-imine has a molecular weight of 147.17 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1-trimethoxypropan-2-imine is sourced from PubChem (CID 118010622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).