N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine

C10H16N2 — CID 138456145

IUPACN-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(C)/C(C)=C/N=C/C
InChIInChI=1S/C10H16N2/c1-5-11-7-9(3)10(4)8-12-6-2/h5-8H,1-4H3/b9-7+,10-8+,11-5+,12-6+
InChIKeyYNAIRLBAXIHXKY-SKIJPBDLSA-N
MW164.25 g/mol
LogP2.98
Rot. Bonds3

About N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine

N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine (PubChem CID 138456145) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine
PubChem CID138456145
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(C)/C(C)=C/N=C/C
InChIInChI=1S/C10H16N2/c1-5-11-7-9(3)10(4)8-12-6-2/h5-8H,1-4H3/b9-7+,10-8+,11-5+,12-6+
InChIKeyYNAIRLBAXIHXKY-SKIJPBDLSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine (CID 138456145) is N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine is C/C=N/C=C(C)/C(C)=C/N=C/C.
What is the InChIKey of N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine?
The InChIKey is YNAIRLBAXIHXKY-SKIJPBDLSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-11-7-9(3)10(4)8-12-6-2/h5-8H,1-4H3/b9-7+,10-8+,11-5+,12-6+.
What are the key properties of N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine?
N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine has a molecular weight of 164.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-4-(ethylideneamino)-2,3-dimethylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 138456145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).