3-(azocan-1-yl)-2,2-dimethylpropanehydrazide

C12H25N3O — CID 79627677

IUPAC3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1CCCCCCC1)C(=O)NN
InChIInChI=1S/C12H25N3O/c1-12(2,11(16)14-13)10-15-8-6-4-3-5-7-9-15/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyONUIWIYSAVWEJH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.27
Rot. Bonds3

About 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide

3-(azocan-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79627677) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79627677
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1CCCCCCC1)C(=O)NN
InChIInChI=1S/C12H25N3O/c1-12(2,11(16)14-13)10-15-8-6-4-3-5-7-9-15/h3-10,13H2,1-2H3,(H,14,16)
InChIKeyONUIWIYSAVWEJH-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.27
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

2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide
CID 79630412
3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide
CID 79628344
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)piperidine-3-carboxamide
CID 79628715
2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
CID 79631643
1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-N-methylpiperidine-4-carboxamide
CID 79631814
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258
3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
CID 130913539
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631732
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
2-[[3-(azepan-1-yl)-2,2-dimethylpropanoyl]amino]propanoic acid
CID 82043040
2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 79627852

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide (CID 79627677) is 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide is CC(C)(CN1CCCCCCC1)C(=O)NN.
What is the InChIKey of 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is ONUIWIYSAVWEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,11(16)14-13)10-15-8-6-4-3-5-7-9-15/h3-10,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide?
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 227.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79627677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).