N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine

C8H17N3O — CID 158977620

IUPACN-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine
SMILESC=NC.CC(C)=NON=C(C)C
InChIInChI=1S/C6H12N2O.C2H5N/c1-5(2)7-9-8-6(3)4;1-3-2/h1-4H3;1H2,2H3
InChIKeyJOOZBXWCZVOASX-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.11
Rot. Bonds2

About N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine

N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine (PubChem CID 158977620) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine.

Molecular Properties

Compound NameN-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine
PubChem CID158977620
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine
SMILESC=NC.CC(C)=NON=C(C)C
InChIInChI=1S/C6H12N2O.C2H5N/c1-5(2)7-9-8-6(3)4;1-3-2/h1-4H3;1H2,2H3
InChIKeyJOOZBXWCZVOASX-UHFFFAOYSA-N
XLogP2.11
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.11
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'}

Analyze N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
2-(propan-2-ylideneamino)oxyethanamine
CID 58685021
N-trimethylsilyloxypropan-2-imine
CID 14115311
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
N-cyclopropyloxypropan-2-imine
CID 175552910
N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine
CID 159889830
N-di(propan-2-yl)silyloxypropan-2-imine
CID 173001204
triethyl-(propan-2-ylideneamino)oxyazanium hydroxide
CID 88631945
N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine
CID 158424207
N-(2-methyloxiran-2-yl)oxypropan-2-imine
CID 89125405
2-[(methylideneamino)hydrazinylidene]propane
CID 145419636

Frequently Asked Questions

What is the IUPAC name of N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine?
The IUPAC name of N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine (CID 158977620) is N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine.
What is the SMILES notation for N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine?
The canonical SMILES for N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine is C=NC.CC(C)=NON=C(C)C.
What is the InChIKey of N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine?
The InChIKey is JOOZBXWCZVOASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H5N/c1-5(2)7-9-8-6(3)4;1-3-2/h1-4H3;1H2,2H3.
What are the key properties of N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine?
N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine has a molecular weight of 171.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanimine;N-(propan-2-ylideneamino)oxypropan-2-imine is sourced from PubChem (CID 158977620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).