2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile

C11H21N3 — CID 57105762

IUPAC2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile
SMILESCC(C)C/N=N/CC(C)CC(C)C#N
InChIInChI=1S/C11H21N3/c1-9(2)7-13-14-8-11(4)5-10(3)6-12/h9-11H,5,7-8H2,1-4H3/b14-13+
InChIKeyVUAKAZSZSVZJON-BUHFOSPRSA-N
MW195.31 g/mol
LogP3.28
Rot. Bonds6

About 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile

2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile (PubChem CID 57105762) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile
PubChem CID57105762
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile
SMILESCC(C)C/N=N/CC(C)CC(C)C#N
InChIInChI=1S/C11H21N3/c1-9(2)7-13-14-8-11(4)5-10(3)6-12/h9-11H,5,7-8H2,1-4H3/b14-13+
InChIKeyVUAKAZSZSVZJON-BUHFOSPRSA-N
XLogP3.28
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,4-dimethylpentanenitrile
CID 121493485
(2S,4R)-4-bromo-2-methylpentanenitrile
CID 124509329
(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile
CID 135772574
3-iodo-2-methylpropanenitrile
CID 87227198
2-[(1-carboxylato-3-cyanobutyl)diazenyl]-4-cyanopentanoate
CID 19816669
2,6-dimethylheptanedinitrile
CID 15584321
sodium 2-methylbutanenitrile
CID 23346888
2-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid
CID 140867301
2-methylbutanenitrile;prop-2-enenitrile
CID 161462983
hydrogen peroxide;2-methyl-3-phenyldiazenylpropanenitrile
CID 88713139
(2S)-4-(tert-butyldiazenyl)-2-methylbutanenitrile
CID 174241232
2,4-dimethyl-1-nitrosopentane
CID 143544578

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile?
The IUPAC name of 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile (CID 57105762) is 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile?
The canonical SMILES for 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile is CC(C)C/N=N/CC(C)CC(C)C#N.
What is the InChIKey of 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile?
The InChIKey is VUAKAZSZSVZJON-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)7-13-14-8-11(4)5-10(3)6-12/h9-11H,5,7-8H2,1-4H3/b14-13+.
What are the key properties of 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile?
2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile has a molecular weight of 195.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-methylpropyldiazenyl)pentanenitrile is sourced from PubChem (CID 57105762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).