2,6-diethyl-4-propan-2-ylbenzonitrile

C14H19N — CID 134444218

IUPAC2,6-diethyl-4-propan-2-ylbenzonitrile
SMILESCCc1cc(C(C)C)cc(CC)c1C#N
InChIInChI=1S/C14H19N/c1-5-11-7-13(10(3)4)8-12(6-2)14(11)9-15/h7-8,10H,5-6H2,1-4H3
InChIKeyUQDFRGXVXPSMEI-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.81
Rot. Bonds3

About 2,6-diethyl-4-propan-2-ylbenzonitrile

2,6-diethyl-4-propan-2-ylbenzonitrile (PubChem CID 134444218) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,6-diethyl-4-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name2,6-diethyl-4-propan-2-ylbenzonitrile
PubChem CID134444218
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,6-diethyl-4-propan-2-ylbenzonitrile
SMILESCCc1cc(C(C)C)cc(CC)c1C#N
InChIInChI=1S/C14H19N/c1-5-11-7-13(10(3)4)8-12(6-2)14(11)9-15/h7-8,10H,5-6H2,1-4H3
InChIKeyUQDFRGXVXPSMEI-UHFFFAOYSA-N
XLogP3.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-2,6-diethylbenzonitrile
CID 25067369
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
ethyl 2-[2-cyano-5-(difluoromethyl)-3-ethylphenyl]acetate
CID 134614971
2-[3-(bromomethyl)-4-cyano-5-ethylphenyl]acetic acid
CID 131263491
2-(5-bromo-2-cyano-3-ethylphenyl)acetic acid
CID 131288990
2-(2-cyano-3-ethyl-5-sulfanylphenyl)acetic acid
CID 135742976
4,5-diethyl-2-propan-2-ylbenzonitrile
CID 71134969
2,6-diphenyl-4-propan-2-ylbenzonitrile
CID 139441487
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
3-ethyl-2-methoxy-6-propan-2-ylbenzonitrile
CID 117291786
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754
2-chloro-N'-(4-cyano-3,5-diethylphenyl)ethanimidamide
CID 169368616

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-propan-2-ylbenzonitrile?
The IUPAC name of 2,6-diethyl-4-propan-2-ylbenzonitrile (CID 134444218) is 2,6-diethyl-4-propan-2-ylbenzonitrile.
What is the SMILES notation for 2,6-diethyl-4-propan-2-ylbenzonitrile?
The canonical SMILES for 2,6-diethyl-4-propan-2-ylbenzonitrile is CCc1cc(C(C)C)cc(CC)c1C#N.
What is the InChIKey of 2,6-diethyl-4-propan-2-ylbenzonitrile?
The InChIKey is UQDFRGXVXPSMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-11-7-13(10(3)4)8-12(6-2)14(11)9-15/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 2,6-diethyl-4-propan-2-ylbenzonitrile?
2,6-diethyl-4-propan-2-ylbenzonitrile has a molecular weight of 201.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-propan-2-ylbenzonitrile is sourced from PubChem (CID 134444218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).