5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile

C11H16N2 — CID 123764276

IUPAC5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
SMILESC/N=C(\C=C(C)C)C(C#N)=C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)6-11(13-5)10(7-12)9(3)4/h6H,1-5H3/b13-11+
InChIKeyAVMKMUVUFPAJIU-ACCUITESSA-N
MW176.26 g/mol
LogP2.88
Rot. Bonds2

About 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile

5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile (PubChem CID 123764276) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile.

Molecular Properties

Compound Name5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
PubChem CID123764276
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
SMILESC/N=C(\C=C(C)C)C(C#N)=C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)6-11(13-5)10(7-12)9(3)4/h6H,1-5H3/b13-11+
InChIKeyAVMKMUVUFPAJIU-ACCUITESSA-N
XLogP2.88
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-7-methyliminocyclohepta-1,5-diene-1-carbonitrile
CID 123939725
2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
[(7Z)-8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
CID 59086722
[8,9-dicyano-2-(C-cyano-N-methylcarbonimidoyl)-9-methyliminonona-1,3,5,7-tetraenylidene]azanide
CID 72512162
2,2-Dimethyl-3-methyliminohex-4-enenitrile
CID 91338500
3,7-Dimethyl-4-methyliminocyclohepta-2,5-diene-1-carbonitrile
CID 91388424
2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile
CID 123206281
(E)-2-(C,N-dimethylcarbonimidoyl)hept-2-enenitrile
CID 123328094
2,6-Dimethyl-2,3-dihydropyridine-3,5-dicarbonitrile
CID 123442377
N,5-dimethylhept-4-en-3-imine
CID 123443398
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029
3-Imino-5-methyl-2-propan-2-ylidenehex-4-enenitrile
CID 123602743

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile?
The IUPAC name of 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile (CID 123764276) is 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile.
What is the SMILES notation for 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile?
The canonical SMILES for 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile is C/N=C(\C=C(C)C)C(C#N)=C(C)C.
What is the InChIKey of 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile?
The InChIKey is AVMKMUVUFPAJIU-ACCUITESSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)6-11(13-5)10(7-12)9(3)4/h6H,1-5H3/b13-11+.
What are the key properties of 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile?
5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile has a molecular weight of 176.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile is sourced from PubChem (CID 123764276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).