3-[benzyl(methyl)amino]butanehydrazide

C12H19N3O — CID 63568867

IUPAC3-[benzyl(methyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)Cc1ccccc1
InChIInChI=1S/C12H19N3O/c1-10(8-12(16)14-13)15(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H,14,16)
InChIKeyWKDLSMCKOYSPLZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.89
Rot. Bonds5

About 3-[benzyl(methyl)amino]butanehydrazide

3-[benzyl(methyl)amino]butanehydrazide (PubChem CID 63568867) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]butanehydrazide
PubChem CID63568867
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[benzyl(methyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)Cc1ccccc1
InChIInChI=1S/C12H19N3O/c1-10(8-12(16)14-13)15(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H,14,16)
InChIKeyWKDLSMCKOYSPLZ-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
CID 131141172
2-[benzyl(methyl)amino]propyl carbonochloridate
CID 22165929
N-benzyl-N-methylbutan-2-amine
CID 15496809
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697
3-amino-N-[3-[benzyl(methyl)amino]butyl]-3-phenylpropanamide;dihydrochloride
CID 119954189
methyl 2-[benzyl(methyl)amino]-3-methylpentanoate
CID 146455513

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]butanehydrazide?
The IUPAC name of 3-[benzyl(methyl)amino]butanehydrazide (CID 63568867) is 3-[benzyl(methyl)amino]butanehydrazide.
What is the SMILES notation for 3-[benzyl(methyl)amino]butanehydrazide?
The canonical SMILES for 3-[benzyl(methyl)amino]butanehydrazide is CC(CC(=O)NN)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]butanehydrazide?
The InChIKey is WKDLSMCKOYSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(8-12(16)14-13)15(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-[benzyl(methyl)amino]butanehydrazide?
3-[benzyl(methyl)amino]butanehydrazide has a molecular weight of 221.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]butanehydrazide is sourced from PubChem (CID 63568867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).