N-[3-(methylideneamino)propyl]acetamide

C6H12N2O — CID 55299024

IUPACN-[3-(methylideneamino)propyl]acetamide
SMILESC=NCCCNC(C)=O
InChIInChI=1S/C6H12N2O/c1-6(9)8-5-3-4-7-2/h2-5H2,1H3,(H,8,9)
InChIKeyVOGKGZPUWJEQJF-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.21
Rot. Bonds4

About N-[3-(methylideneamino)propyl]acetamide

N-[3-(methylideneamino)propyl]acetamide (PubChem CID 55299024) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-[3-(methylideneamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(methylideneamino)propyl]acetamide
PubChem CID55299024
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-[3-(methylideneamino)propyl]acetamide
SMILESC=NCCCNC(C)=O
InChIInChI=1S/C6H12N2O/c1-6(9)8-5-3-4-7-2/h2-5H2,1H3,(H,8,9)
InChIKeyVOGKGZPUWJEQJF-UHFFFAOYSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylideneamino)propyl]acetamide?
The IUPAC name of N-[3-(methylideneamino)propyl]acetamide (CID 55299024) is N-[3-(methylideneamino)propyl]acetamide.
What is the SMILES notation for N-[3-(methylideneamino)propyl]acetamide?
The canonical SMILES for N-[3-(methylideneamino)propyl]acetamide is C=NCCCNC(C)=O.
What is the InChIKey of N-[3-(methylideneamino)propyl]acetamide?
The InChIKey is VOGKGZPUWJEQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(9)8-5-3-4-7-2/h2-5H2,1H3,(H,8,9).
What are the key properties of N-[3-(methylideneamino)propyl]acetamide?
N-[3-(methylideneamino)propyl]acetamide has a molecular weight of 128.17 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylideneamino)propyl]acetamide is sourced from PubChem (CID 55299024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).