2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile

C10H13N3 — CID 107936000

IUPAC2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile
SMILESCN(C)NCc1ccccc1C#N
InChIInChI=1S/C10H13N3/c1-13(2)12-8-10-6-4-3-5-9(10)7-11/h3-6,12H,8H2,1-2H3
InChIKeyDDAWWEIXRRAOTK-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.12
Rot. Bonds3

About 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile

2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile (PubChem CID 107936000) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile
PubChem CID107936000
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile
SMILESCN(C)NCc1ccccc1C#N
InChIInChI=1S/C10H13N3/c1-13(2)12-8-10-6-4-3-5-9(10)7-11/h3-6,12H,8H2,1-2H3
InChIKeyDDAWWEIXRRAOTK-UHFFFAOYSA-N
XLogP1.12
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyanomethylamino)methyl]benzonitrile
CID 46942219
2-[(prop-2-ynylamino)methyl]benzonitrile
CID 28563080
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzonitrile
CID 54958837
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[(2,6-dimethylanilino)methyl]benzonitrile
CID 60688762
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 47077678
2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile
CID 103851701
2-[(2-ethylbutylamino)methyl]benzonitrile
CID 115767858
2-[3-(dimethylamino)propyl]benzonitrile
CID 10702796
2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile?
The IUPAC name of 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile (CID 107936000) is 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile.
What is the SMILES notation for 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile?
The canonical SMILES for 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile is CN(C)NCc1ccccc1C#N.
What is the InChIKey of 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile?
The InChIKey is DDAWWEIXRRAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(2)12-8-10-6-4-3-5-9(10)7-11/h3-6,12H,8H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile?
2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile is sourced from PubChem (CID 107936000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).