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

C9H14N2 — CID 123815893

IUPACN-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(/N=C/C)/C(C)=C/N=C/C
InChIInChI=1S/C9H14N2/c1-5-10-7-8(3)9(4)11-6-2/h5-7H,4H2,1-3H3/b8-7+,10-5+,11-6+
InChIKeyPJNXTETYIVHLKD-WGVLWLRPSA-N
MW150.22 g/mol
LogP2.59
Rot. Bonds3

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

N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine (PubChem CID 123815893) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine
PubChem CID123815893
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(/N=C/C)/C(C)=C/N=C/C
InChIInChI=1S/C9H14N2/c1-5-10-7-8(3)9(4)11-6-2/h5-7H,4H2,1-3H3/b8-7+,10-5+,11-6+
InChIKeyPJNXTETYIVHLKD-WGVLWLRPSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.59
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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Related Compounds

(1E)-3-methyl-2-(prop-2-enylideneamino)buta-1,3-dien-1-amine
CID 89339713
N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine
CID 90886674
N-(3-methylpenta-1,3-dien-2-yl)ethanimine
CID 91483413
N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
CID 118566069
N-[(1E)-3-methyl-2-(propan-2-ylideneamino)buta-1,3-dienyl]propan-2-imine
CID 123203094
N-[(1E)-2,3-dimethylbuta-1,3-dienyl]ethanimine
CID 123219705
N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
CID 123241614
N-[(3E)-4-(ethylideneamino)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
CID 123400810
N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]ethanimine
CID 123405687
N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123590724
N-[(3E)-3-methylpenta-1,3-dien-2-yl]ethanimine
CID 123600046
N-(3-methylbuta-1,3-dien-2-yl)propan-1-imine
CID 123708105

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine (CID 123815893) is N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine is C=C(/N=C/C)/C(C)=C/N=C/C.
What is the InChIKey of N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine?
The InChIKey is PJNXTETYIVHLKD-WGVLWLRPSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-10-7-8(3)9(4)11-6-2/h5-7H,4H2,1-3H3/b8-7+,10-5+,11-6+.
What are the key properties of N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine?
N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine has a molecular weight of 150.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 123815893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).