N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine

C7H18N2O2 — CID 159889830

IUPACN-methoxy-N-methylmethanamine;N-methoxypropan-2-imine
SMILESCON(C)C.CON=C(C)C
InChIInChI=1S/C4H9NO.C3H9NO/c1-4(2)5-6-3;1-4(2)5-3/h1-3H3;1-3H3
InChIKeyNUPLTTJQABHFPR-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.14
Rot. Bonds2

About N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine

N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine (PubChem CID 159889830) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine.

Molecular Properties

Compound NameN-methoxy-N-methylmethanamine;N-methoxypropan-2-imine
PubChem CID159889830
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC NameN-methoxy-N-methylmethanamine;N-methoxypropan-2-imine
SMILESCON(C)C.CON=C(C)C
InChIInChI=1S/C4H9NO.C3H9NO/c1-4(2)5-6-3;1-4(2)5-3/h1-3H3;1-3H3
InChIKeyNUPLTTJQABHFPR-UHFFFAOYSA-N
XLogP1.14
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-N-methylmethanamine;N-methoxypropan-2-imine?
The IUPAC name of N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine (CID 159889830) is N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine.
What is the SMILES notation for N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine?
The canonical SMILES for N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine is CON(C)C.CON=C(C)C.
What is the InChIKey of N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine?
The InChIKey is NUPLTTJQABHFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H9NO/c1-4(2)5-6-3;1-4(2)5-3/h1-3H3;1-3H3.
What are the key properties of N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine?
N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine has a molecular weight of 162.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine is sourced from PubChem (CID 159889830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).