(2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile

C10H14N2 — CID 59975598

IUPAC(2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile
SMILESC=N/C(=C\C/C=C(/C)C#N)CC
InChIInChI=1S/C10H14N2/c1-4-10(12-3)7-5-6-9(2)8-11/h6-7H,3-5H2,1-2H3/b9-6-,10-7-
InChIKeyCOKAPZFYUJTSCA-LFPVQMOXSA-N
MW162.24 g/mol
LogP2.84
Rot. Bonds4

About (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile

(2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile (PubChem CID 59975598) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile.

Molecular Properties

Compound Name(2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile
PubChem CID59975598
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile
SMILESC=N/C(=C\C/C=C(/C)C#N)CC
InChIInChI=1S/C10H14N2/c1-4-10(12-3)7-5-6-9(2)8-11/h6-7H,3-5H2,1-2H3/b9-6-,10-7-
InChIKeyCOKAPZFYUJTSCA-LFPVQMOXSA-N
XLogP2.84
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile?
The IUPAC name of (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile (CID 59975598) is (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile.
What is the SMILES notation for (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile?
The canonical SMILES for (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile is C=N/C(=C\C/C=C(/C)C#N)CC.
What is the InChIKey of (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile?
The InChIKey is COKAPZFYUJTSCA-LFPVQMOXSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-10(12-3)7-5-6-9(2)8-11/h6-7H,3-5H2,1-2H3/b9-6-,10-7-.
What are the key properties of (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile?
(2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile has a molecular weight of 162.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-methyl-6-(methylideneamino)octa-2,5-dienenitrile is sourced from PubChem (CID 59975598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).