2-(2,2-dimethylpropyl)-2-methylpropanedinitrile

C9H14N2 — CID 158747755

IUPAC2-(2,2-dimethylpropyl)-2-methylpropanedinitrile
SMILESCC(C)(C)CC(C)(C#N)C#N
InChIInChI=1S/C9H14N2/c1-8(2,3)5-9(4,6-10)7-11/h5H2,1-4H3
InChIKeyWQSMKAAJUZZJIP-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.48
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile

2-(2,2-dimethylpropyl)-2-methylpropanedinitrile (PubChem CID 158747755) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-methylpropanedinitrile
PubChem CID158747755
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(2,2-dimethylpropyl)-2-methylpropanedinitrile
SMILESCC(C)(C)CC(C)(C#N)C#N
InChIInChI=1S/C9H14N2/c1-8(2,3)5-9(4,6-10)7-11/h5H2,1-4H3
InChIKeyWQSMKAAJUZZJIP-UHFFFAOYSA-N
XLogP2.48
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2,4,4-tetramethylpentyl 2-cyanoprop-2-enoate
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2,2,4,4,6,6-hexamethylheptane
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2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile
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1,1,1-trimethoxy-3,3-dimethylbutane
CID 63890888
2-amino-2,4,4-trimethylpentanedinitrile
CID 170007153
2,2-dichloropropanenitrile
CID 5058831
2-fluoro-2-methylpropanenitrile
CID 10129896
2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile
CID 140812615
CID 59041172
CID 59041172

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile (CID 158747755) is 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile is CC(C)(C)CC(C)(C#N)C#N.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile?
The InChIKey is WQSMKAAJUZZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2,3)5-9(4,6-10)7-11/h5H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile?
2-(2,2-dimethylpropyl)-2-methylpropanedinitrile has a molecular weight of 150.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-methylpropanedinitrile is sourced from PubChem (CID 158747755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).