N'-butyl-2,2-dimethylpropanehydrazide

C9H20N2O — CID 54252992

IUPACN'-butyl-2,2-dimethylpropanehydrazide
SMILESCCCCNNC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-7-10-11-8(12)9(2,3)4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKeyQYBMINGPWDXODZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.45
Rot. Bonds4

About N'-butyl-2,2-dimethylpropanehydrazide

N'-butyl-2,2-dimethylpropanehydrazide (PubChem CID 54252992) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-butyl-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-butyl-2,2-dimethylpropanehydrazide
PubChem CID54252992
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-butyl-2,2-dimethylpropanehydrazide
SMILESCCCCNNC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-7-10-11-8(12)9(2,3)4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKeyQYBMINGPWDXODZ-UHFFFAOYSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
tert-butyl N-(octylamino)carbamate
CID 107237086
N-[2-[(N-butyl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 111152372
2,2-dimethyl-N-[2-(octylamino)ethyl]propanamide
CID 157310048
2-oxo-2-(2-pentylhydrazinyl)acetamide
CID 174616394
methyl N-(hexylamino)carbamate
CID 141204686
2-(2-butylhydrazinyl)acetic acid
CID 90278440
N'-butyl-2-methylhept-2-enehydrazide
CID 141470562
bis(2-butylhydrazinyl) oxalate
CID 57139546
butylcarbamic acid;zinc
CID 141049802

Frequently Asked Questions

What is the IUPAC name of N'-butyl-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-butyl-2,2-dimethylpropanehydrazide (CID 54252992) is N'-butyl-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-butyl-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-butyl-2,2-dimethylpropanehydrazide is CCCCNNC(=O)C(C)(C)C.
What is the InChIKey of N'-butyl-2,2-dimethylpropanehydrazide?
The InChIKey is QYBMINGPWDXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-6-7-10-11-8(12)9(2,3)4/h10H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N'-butyl-2,2-dimethylpropanehydrazide?
N'-butyl-2,2-dimethylpropanehydrazide has a molecular weight of 172.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 54252992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).