2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile

C15H19N — CID 116842289

IUPAC2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C)c(C2(C#N)CC2(C)C)c(C)c1
InChIInChI=1S/C15H19N/c1-10-6-11(2)13(12(3)7-10)15(9-16)8-14(15,4)5/h6-7H,8H2,1-5H3
InChIKeyHYYPXOYCWSGODC-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.80
Rot. Bonds1

About 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile

2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile (PubChem CID 116842289) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
PubChem CID116842289
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C)c(C2(C#N)CC2(C)C)c(C)c1
InChIInChI=1S/C15H19N/c1-10-6-11(2)13(12(3)7-10)15(9-16)8-14(15,4)5/h6-7H,8H2,1-5H3
InChIKeyHYYPXOYCWSGODC-UHFFFAOYSA-N
XLogP3.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile (CID 116842289) is 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile is Cc1cc(C)c(C2(C#N)CC2(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is HYYPXOYCWSGODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-10-6-11(2)13(12(3)7-10)15(9-16)8-14(15,4)5/h6-7H,8H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 213.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116842289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).