N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine

C8H19N3O — CID 158424207

IUPACN-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine
SMILESCNN=C(C)C.CON=C(C)C
InChIInChI=1S/C4H10N2.C4H9NO/c1-4(2)6-5-3;1-4(2)5-6-3/h5H,1-3H3;1-3H3
InChIKeyHAVUNFRZDGOITB-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds2

About N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine

N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine (PubChem CID 158424207) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine.

Molecular Properties

Compound NameN-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine
PubChem CID158424207
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine
SMILESCNN=C(C)C.CON=C(C)C
InChIInChI=1S/C4H10N2.C4H9NO/c1-4(2)6-5-3;1-4(2)5-6-3/h5H,1-3H3;1-3H3
InChIKeyHAVUNFRZDGOITB-UHFFFAOYSA-N
XLogP1.63
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
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-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine 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

N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine
CID 159889830
ethane;methyl (1Z)-N-methylethanehydrazonate
CID 167502195
ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate
CID 160945585
N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
CID 6850505
N'-(methylamino)carbamimidate
CID 59074023
methyl (1Z)-N,2-dimethylpropanehydrazonate
CID 139517370
(3E)-3-methoxyiminohexane-2,5-dione
CID 59870699
N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide
CID 176539365
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
tert-butyl N-methylethanehydrazonate
CID 159503466
(1E)-1-dimethoxyphosphanyl-1-(methylhydrazinylidene)propan-2-one
CID 129091703
N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516

Frequently Asked Questions

What is the IUPAC name of N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine?
The IUPAC name of N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine (CID 158424207) is N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine.
What is the SMILES notation for N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine?
The canonical SMILES for N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine is CNN=C(C)C.CON=C(C)C.
What is the InChIKey of N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine?
The InChIKey is HAVUNFRZDGOITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C4H9NO/c1-4(2)6-5-3;1-4(2)5-6-3/h5H,1-3H3;1-3H3.
What are the key properties of N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine?
N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine has a molecular weight of 173.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine is sourced from PubChem (CID 158424207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).