N-methyl-N-(propylideneamino)formamide

C5H10N2O — CID 71373891

IUPACN-methyl-N-(propylideneamino)formamide
SMILESCCC=NN(C)C=O
InChIInChI=1S/C5H10N2O/c1-3-4-6-7(2)5-8/h4-5H,3H2,1-2H3
InChIKeyVTTBLPOBLSDGTO-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.47
Rot. Bonds3

About N-methyl-N-(propylideneamino)formamide

N-methyl-N-(propylideneamino)formamide (PubChem CID 71373891) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-methyl-N-(propylideneamino)formamide.

Molecular Properties

Compound NameN-methyl-N-(propylideneamino)formamide
PubChem CID71373891
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-methyl-N-(propylideneamino)formamide
SMILESCCC=NN(C)C=O
InChIInChI=1S/C5H10N2O/c1-3-4-6-7(2)5-8/h4-5H,3H2,1-2H3
InChIKeyVTTBLPOBLSDGTO-UHFFFAOYSA-N
XLogP0.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Gyromitrin
CID 9548611
Acetaldehyde methylformylhydrazone
CID 27932
3-Methylbutanal methylformylhydrazone
CID 9556442
Hexanal methylformylhydrazone
CID 9556443
Pentanal N-methyl-N-formylhydrazone
CID 9570634
N'-[(1Z)-ethylidene]-N-methylformohydrazide
CID 5365327
Decanal, N-formyl-N-methylhydrazone
CID 9570701
N-methyl-N-[(E)-octylideneamino]formamide
CID 90474126
Hydrazinecarboxaldehyde, hexylidenemethyl-, (E)-
CID 42478
N-(hexylideneamino)-N-methylformamide
CID 5367942
N-Methyl-N'-octylideneformohydrazide
CID 71392675
N-Methyl-N-[(Z)-pentylideneamino]formamide
CID 5367941

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(propylideneamino)formamide?
The IUPAC name of N-methyl-N-(propylideneamino)formamide (CID 71373891) is N-methyl-N-(propylideneamino)formamide.
What is the SMILES notation for N-methyl-N-(propylideneamino)formamide?
The canonical SMILES for N-methyl-N-(propylideneamino)formamide is CCC=NN(C)C=O.
What is the InChIKey of N-methyl-N-(propylideneamino)formamide?
The InChIKey is VTTBLPOBLSDGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-4-6-7(2)5-8/h4-5H,3H2,1-2H3.
What are the key properties of N-methyl-N-(propylideneamino)formamide?
N-methyl-N-(propylideneamino)formamide has a molecular weight of 114.15 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(propylideneamino)formamide is sourced from PubChem (CID 71373891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).