(2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile

C8H11N3 — CID 59943125

IUPAC(2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile
SMILESC=N/C(C#N)=C\C=C\N(C)C
InChIInChI=1S/C8H11N3/c1-10-8(7-9)5-4-6-11(2)3/h4-6H,1H2,2-3H3/b6-4+,8-5-
InChIKeyQGFQNILEIAXMJC-NDWVUGOJSA-N
MW149.20 g/mol
LogP1.17
Rot. Bonds3

About (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile

(2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile (PubChem CID 59943125) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile
PubChem CID59943125
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile
SMILESC=N/C(C#N)=C\C=C\N(C)C
InChIInChI=1S/C8H11N3/c1-10-8(7-9)5-4-6-11(2)3/h4-6H,1H2,2-3H3/b6-4+,8-5-
InChIKeyQGFQNILEIAXMJC-NDWVUGOJSA-N
XLogP1.17
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methyl-2-pyridinylidene)acetonitrile
CID 54059041
(2E)-2-(1-methyl-2-pyridinylidene)acetonitrile
CID 70614034
N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-2-amine
CID 91141901
2-Methyl-1-methylidenepyrrol-1-ium
CID 123728780
Trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium
CID 123820836
7-(Methylideneamino)hepta-2,4,6-trienenitrile
CID 124012996
(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine
CID 126536976
(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienenitrile
CID 129235198
N-[(1Z)-1-(1-ethyl-2-pyridinylidene)ethyl]methanimine
CID 130412907
(2Z,4Z)-N-ethyl-N-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
CID 134185502
(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
CID 134286364
N-[(Z)-(1-methyl-2-pyridinylidene)methyl]methanimine
CID 134578246

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile (CID 59943125) is (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile is C=N/C(C#N)=C\C=C\N(C)C.
What is the InChIKey of (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile?
The InChIKey is QGFQNILEIAXMJC-NDWVUGOJSA-N. The full InChI is InChI=1S/C8H11N3/c1-10-8(7-9)5-4-6-11(2)3/h4-6H,1H2,2-3H3/b6-4+,8-5-.
What are the key properties of (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile?
(2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile has a molecular weight of 149.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(dimethylamino)-2-(methylideneamino)penta-2,4-dienenitrile is sourced from PubChem (CID 59943125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).