2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile

C14H21N — CID 140603206

IUPAC2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile
SMILESC=C(C)C1CC=C(C)C(C(C)(C)C#N)C1
InChIInChI=1S/C14H21N/c1-10(2)12-7-6-11(3)13(8-12)14(4,5)9-15/h6,12-13H,1,7-8H2,2-5H3
InChIKeyKYTLAQXJJRGEDM-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.08
Rot. Bonds2

About 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile

2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile (PubChem CID 140603206) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile
PubChem CID140603206
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile
SMILESC=C(C)C1CC=C(C)C(C(C)(C)C#N)C1
InChIInChI=1S/C14H21N/c1-10(2)12-7-6-11(3)13(8-12)14(4,5)9-15/h6,12-13H,1,7-8H2,2-5H3
InChIKeyKYTLAQXJJRGEDM-UHFFFAOYSA-N
XLogP4.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 123301417
2-methyl-1-(4-methylphenyl)-2-[(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propan-1-one
CID 23659548
(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11789656
dimethyl 2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]-2-prop-2-ynylpropanedioate
CID 135071651
(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 14889719
ethyl (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carboxylate
CID 102015354
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2,2-dimethylbutanoate
CID 126578927
dimethyl 2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propanedioate
CID 11821550
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] prop-2-enoate
CID 118478416
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] nitrite
CID 169007971
(4R,6S)-6-deuterio-1-methyl-6-(2-methylpropyl)-4-prop-1-en-2-ylcyclohexene
CID 101382621
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 118478440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile (CID 140603206) is 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile is C=C(C)C1CC=C(C)C(C(C)(C)C#N)C1.
What is the InChIKey of 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile?
The InChIKey is KYTLAQXJJRGEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)12-7-6-11(3)13(8-12)14(4,5)9-15/h6,12-13H,1,7-8H2,2-5H3.
What are the key properties of 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile?
2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile has a molecular weight of 203.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propanenitrile is sourced from PubChem (CID 140603206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).