2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile

C14H23N — CID 89309961

IUPAC2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
SMILESCC(C)=CCCC(C)(C#N)CC=C(C)C
InChIInChI=1S/C14H23N/c1-12(2)7-6-9-14(5,11-15)10-8-13(3)4/h7-8H,6,9-10H2,1-5H3
InChIKeyGZFWFZCUNCLXEG-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.62
Rot. Bonds5

About 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile

2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile (PubChem CID 89309961) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile.

Molecular Properties

Compound Name2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
PubChem CID89309961
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
SMILESCC(C)=CCCC(C)(C#N)CC=C(C)C
InChIInChI=1S/C14H23N/c1-12(2)7-6-9-14(5,11-15)10-8-13(3)4/h7-8H,6,9-10H2,1-5H3
InChIKeyGZFWFZCUNCLXEG-UHFFFAOYSA-N
XLogP4.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile
CID 89307025
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile
CID 23266621
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
2-methylhex-2-ene;oxalonitrile
CID 174896444
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
CID 139888264
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448
5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile?
The IUPAC name of 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile (CID 89309961) is 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile.
What is the SMILES notation for 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile?
The canonical SMILES for 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile is CC(C)=CCCC(C)(C#N)CC=C(C)C.
What is the InChIKey of 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile?
The InChIKey is GZFWFZCUNCLXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-12(2)7-6-9-14(5,11-15)10-8-13(3)4/h7-8H,6,9-10H2,1-5H3.
What are the key properties of 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile?
2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile has a molecular weight of 205.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile is sourced from PubChem (CID 89309961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).