2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile

C18H25N — CID 18177846

IUPAC2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile
SMILESCC(C)(C#N)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H25N/c1-16(2)9-10-17(3,4)15-11-13(7-8-14(15)16)18(5,6)12-19/h7-8,11H,9-10H2,1-6H3
InChIKeyORUIRTGCQZHTIM-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.84
Rot. Bonds1

About 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile

2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile (PubChem CID 18177846) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile
PubChem CID18177846
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile
SMILESCC(C)(C#N)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H25N/c1-16(2)9-10-17(3,4)15-11-13(7-8-14(15)16)18(5,6)12-19/h7-8,11H,9-10H2,1-6H3
InChIKeyORUIRTGCQZHTIM-UHFFFAOYSA-N
XLogP4.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
alpha-Ionene
CID 68057
9-Cyanoanthracene
CID 14586
2-Cyano-4'-methylbiphenyl
CID 145512
1-Naphthalenecarbonitrile
CID 6846
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
1-Naphthaleneacetonitrile
CID 8596
(4-tert-Butylphenyl)acetonitrile
CID 76784
9-Phenanthrenecarbonitrile
CID 17279
2-Naphthalenecarbonitrile
CID 11944
Abietatriene
CID 6432211

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile (CID 18177846) is 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile is CC(C)(C#N)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile?
The InChIKey is ORUIRTGCQZHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-16(2)9-10-17(3,4)15-11-13(7-8-14(15)16)18(5,6)12-19/h7-8,11H,9-10H2,1-6H3.
What are the key properties of 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile?
2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile has a molecular weight of 255.40 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile is sourced from PubChem (CID 18177846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).