6,6-dimethyl-2,2-diphenylheptanenitrile

C21H25N — CID 122487139

IUPAC6,6-dimethyl-2,2-diphenylheptanenitrile
SMILESCC(C)(C)CCCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N/c1-20(2,3)15-10-16-21(17-22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeyZKDZUNAJTCMQOV-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.71
Rot. Bonds5

About 6,6-dimethyl-2,2-diphenylheptanenitrile

6,6-dimethyl-2,2-diphenylheptanenitrile (PubChem CID 122487139) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 6,6-dimethyl-2,2-diphenylheptanenitrile.

Molecular Properties

Compound Name6,6-dimethyl-2,2-diphenylheptanenitrile
PubChem CID122487139
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name6,6-dimethyl-2,2-diphenylheptanenitrile
SMILESCC(C)(C)CCCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N/c1-20(2,3)15-10-16-21(17-22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeyZKDZUNAJTCMQOV-UHFFFAOYSA-N
XLogP5.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-diphenylpent-4-enenitrile
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[1-(5-cyano-2-methyl-5,5-diphenylpentan-2-yl)azetidin-3-yl]methanesulfonyl chloride
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6-[(2-methyl-3-morpholin-4-ylbutan-2-yl)amino]-2,2-diphenylhexanenitrile
CID 87829573
2-methyl-2-phenyloctanenitrile
CID 161194132
5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile
CID 102175155
4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
CID 100942188
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
5-amino-2-phenyl-2-propan-2-ylpentanenitrile
CID 22443873
2,2,5-triphenylpent-4-ynenitrile
CID 10402967
2-phenyl-2-propylpentanenitrile
CID 12754193

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,2-diphenylheptanenitrile?
The IUPAC name of 6,6-dimethyl-2,2-diphenylheptanenitrile (CID 122487139) is 6,6-dimethyl-2,2-diphenylheptanenitrile.
What is the SMILES notation for 6,6-dimethyl-2,2-diphenylheptanenitrile?
The canonical SMILES for 6,6-dimethyl-2,2-diphenylheptanenitrile is CC(C)(C)CCCC(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6,6-dimethyl-2,2-diphenylheptanenitrile?
The InChIKey is ZKDZUNAJTCMQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-20(2,3)15-10-16-21(17-22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14H,10,15-16H2,1-3H3.
What are the key properties of 6,6-dimethyl-2,2-diphenylheptanenitrile?
6,6-dimethyl-2,2-diphenylheptanenitrile has a molecular weight of 291.44 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,2-diphenylheptanenitrile is sourced from PubChem (CID 122487139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).