N'-[(dimethylamino)methyl]acetohydrazide

C5H13N3O — CID 89044839

IUPACN'-[(dimethylamino)methyl]acetohydrazide
SMILESCC(=O)NNCN(C)C
InChIInChI=1S/C5H13N3O/c1-5(9)7-6-4-8(2)3/h6H,4H2,1-3H3,(H,7,9)
InChIKeyNGCAMZFLYQRBOA-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.85
Rot. Bonds3

About N'-[(dimethylamino)methyl]acetohydrazide

N'-[(dimethylamino)methyl]acetohydrazide (PubChem CID 89044839) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is N'-[(dimethylamino)methyl]acetohydrazide.

Molecular Properties

Compound NameN'-[(dimethylamino)methyl]acetohydrazide
PubChem CID89044839
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC NameN'-[(dimethylamino)methyl]acetohydrazide
SMILESCC(=O)NNCN(C)C
InChIInChI=1S/C5H13N3O/c1-5(9)7-6-4-8(2)3/h6H,4H2,1-3H3,(H,7,9)
InChIKeyNGCAMZFLYQRBOA-UHFFFAOYSA-N
XLogP-0.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'-[(dimethylamino)methyl]acetohydrazide?
The IUPAC name of N'-[(dimethylamino)methyl]acetohydrazide (CID 89044839) is N'-[(dimethylamino)methyl]acetohydrazide.
What is the SMILES notation for N'-[(dimethylamino)methyl]acetohydrazide?
The canonical SMILES for N'-[(dimethylamino)methyl]acetohydrazide is CC(=O)NNCN(C)C.
What is the InChIKey of N'-[(dimethylamino)methyl]acetohydrazide?
The InChIKey is NGCAMZFLYQRBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-5(9)7-6-4-8(2)3/h6H,4H2,1-3H3,(H,7,9).
What are the key properties of N'-[(dimethylamino)methyl]acetohydrazide?
N'-[(dimethylamino)methyl]acetohydrazide has a molecular weight of 131.18 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(dimethylamino)methyl]acetohydrazide is sourced from PubChem (CID 89044839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).