1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile

C15H19N — CID 116842037

IUPAC1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C(C)C)cc1C1CC1(C)C#N
InChIInChI=1S/C15H19N/c1-10(2)12-6-5-11(3)13(7-12)14-8-15(14,4)9-16/h5-7,10,14H,8H2,1-4H3
InChIKeyAZTSDHWIMABKDV-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.14
Rot. Bonds2

About 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile

1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile (PubChem CID 116842037) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
PubChem CID116842037
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C(C)C)cc1C1CC1(C)C#N
InChIInChI=1S/C15H19N/c1-10(2)12-6-5-11(3)13(7-12)14-8-15(14,4)9-16/h5-7,10,14H,8H2,1-4H3
InChIKeyAZTSDHWIMABKDV-UHFFFAOYSA-N
XLogP4.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-(2-methyl-5-propan-2-ylphenyl)oxirane
CID 116864074
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CID 143471865
4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 176665910
3-(2-methyl-5-propan-2-ylphenyl)cyclobutan-1-amine
CID 116962785
2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842028
2-(4-butan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841976
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895
methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
CID 117043228
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidine
CID 82472471
2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
CID 115130881
(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine
CID 96844502

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile (CID 116842037) is 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile is Cc1ccc(C(C)C)cc1C1CC1(C)C#N.
What is the InChIKey of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is AZTSDHWIMABKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-10(2)12-6-5-11(3)13(7-12)14-8-15(14,4)9-16/h5-7,10,14H,8H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile?
1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 213.32 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116842037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).