2-(dipentylamino)acetohydrazide

C12H27N3O — CID 17546

IUPAC2-(dipentylamino)acetohydrazide
SMILESCCCCCN(CCCCC)CC(=O)NN
InChIInChI=1S/C12H27N3O/c1-3-5-7-9-15(10-8-6-4-2)11-12(16)14-13/h3-11,13H2,1-2H3,(H,14,16)
InChIKeyCPKORLMZNZXAIL-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.66
Rot. Bonds10

About 2-(dipentylamino)acetohydrazide

2-(dipentylamino)acetohydrazide (PubChem CID 17546) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(dipentylamino)acetohydrazide.

Molecular Properties

Compound Name2-(dipentylamino)acetohydrazide
PubChem CID17546
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-(dipentylamino)acetohydrazide
SMILESCCCCCN(CCCCC)CC(=O)NN
InChIInChI=1S/C12H27N3O/c1-3-5-7-9-15(10-8-6-4-2)11-12(16)14-13/h3-11,13H2,1-2H3,(H,14,16)
InChIKeyCPKORLMZNZXAIL-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dipentylamino)acetohydrazide 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

Glycine, N,N-dipropyl-, hydrazide
CID 17542
Glycine, N,N-diisopropyl-, hydrazide
CID 17543
Glycine, N,N-diisopentyl-, hydrazide
CID 17547
Glycine, N,N-dibutyl-, hydrazide
CID 17544
Glycine, N,N-diisobutyl-, hydrazide
CID 17545
Glycine, N,N-dihexyl-, hydrazide
CID 17866
N-Hexyl-2-hydrazineyl-2-oxoacetamide
CID 54005677
2-(Piperidin-1-yl)acetohydrazide
CID 6421769
N-(2-hydrazinyl-2-oxoethyl)-N,N-dimethylhexadecyl1-ammonium bromide
CID 171118143
2-(Azepan-1-yl)acetohydrazide
CID 4979896
(2-Hydrazinyl-2-oxoethyl)-tripropylazanium
CID 13743712
2-(4-Methylpiperidyl)acetohydrazide
CID 16457128

Frequently Asked Questions

What is the IUPAC name of 2-(dipentylamino)acetohydrazide?
The IUPAC name of 2-(dipentylamino)acetohydrazide (CID 17546) is 2-(dipentylamino)acetohydrazide.
What is the SMILES notation for 2-(dipentylamino)acetohydrazide?
The canonical SMILES for 2-(dipentylamino)acetohydrazide is CCCCCN(CCCCC)CC(=O)NN.
What is the InChIKey of 2-(dipentylamino)acetohydrazide?
The InChIKey is CPKORLMZNZXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-5-7-9-15(10-8-6-4-2)11-12(16)14-13/h3-11,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(dipentylamino)acetohydrazide?
2-(dipentylamino)acetohydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipentylamino)acetohydrazide is sourced from PubChem (CID 17546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).