3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide

C12H25N3O2 — CID 155067555

IUPAC3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide
SMILESCCCNCCC(=O)NNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-13-8-6-10(16)14-15-11(17)9-12(2,3)4/h13H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyVAYBUZCVXWYOQR-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.96
Rot. Bonds6

About 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide

3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide (PubChem CID 155067555) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide.

Molecular Properties

Compound Name3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide
PubChem CID155067555
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide
SMILESCCCNCCC(=O)NNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-13-8-6-10(16)14-15-11(17)9-12(2,3)4/h13H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyVAYBUZCVXWYOQR-UHFFFAOYSA-N
XLogP0.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydrazinecarbonyl)propyl]-2,2-dimethylpropanamide
CID 43132144
N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide
CID 56609020
3,3-dimethyl-N'-[2-(methylamino)acetyl]butanehydrazide
CID 88384173
3-(Butylamino)propanehydrazide
CID 132887995
N-(3-hydrazinyl-3-oxopropyl)-N,3,3-trimethylbutanamide
CID 144959673
N-ethyl-4-hydrazinyl-2,2-dimethylbutanamide
CID 164133510
3-hydrazinyl-N,2,2,3-tetramethylbutanamide
CID 166963869
N,2,2,3-tetramethyl-3-(2-methylhydrazinyl)butanamide
CID 166963887
N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide
CID 167513233
ethane;N-(3-hydrazinyl-3-oxopropyl)butanamide
CID 170571174
3-[(4-Hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide
CID 23136105
N-(3-hydrazinyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 43244708

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide?
The IUPAC name of 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide (CID 155067555) is 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide.
What is the SMILES notation for 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide?
The canonical SMILES for 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide is CCCNCCC(=O)NNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide?
The InChIKey is VAYBUZCVXWYOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-7-13-8-6-10(16)14-15-11(17)9-12(2,3)4/h13H,5-9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide?
3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide is sourced from PubChem (CID 155067555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).