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

C10H16N2 — CID 123590724

IUPACN-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
SMILESC=C(C)C(=C\N=C(C)C)/N=C/C
InChIInChI=1S/C10H16N2/c1-6-11-10(8(2)3)7-12-9(4)5/h6-7H,2H2,1,3-5H3/b10-7+,11-6+
InChIKeyNGISAYZEBHHCLU-NXAIOARDSA-N
MW164.25 g/mol
LogP2.98
Rot. Bonds3

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

N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine (PubChem CID 123590724) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
PubChem CID123590724
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
SMILESC=C(C)C(=C\N=C(C)C)/N=C/C
InChIInChI=1S/C10H16N2/c1-6-11-10(8(2)3)7-12-9(4)5/h6-7H,2H2,1,3-5H3/b10-7+,11-6+
InChIKeyNGISAYZEBHHCLU-NXAIOARDSA-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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Related Compounds

N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
CID 118566069
1-N-(3,6-dimethylhepta-1,3,5-trien-2-yl)-2-N-methylpropane-1,2-diimine
CID 123154836
N-[(1E)-3-methyl-2-(propan-2-ylideneamino)buta-1,3-dienyl]propan-2-imine
CID 123203094
N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
CID 123241614
N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine
CID 123388154
N-[(3E)-4-(ethylideneamino)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
CID 123400810
N-(3-methylbuta-1,3-dien-2-yl)propan-1-imine
CID 123708105
N-[(1E)-3-(ethylideneamino)-2-methylbuta-1,3-dienyl]ethanimine
CID 123815893
N-ethyl-N'-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diimine
CID 124032398
N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine
CID 126590615
N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimine
CID 126724047
N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine
CID 129101834

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine?
The IUPAC name of N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine (CID 123590724) is N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine.
What is the SMILES notation for N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine?
The canonical SMILES for N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine is C=C(C)C(=C\N=C(C)C)/N=C/C.
What is the InChIKey of N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine?
The InChIKey is NGISAYZEBHHCLU-NXAIOARDSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-11-10(8(2)3)7-12-9(4)5/h6-7H,2H2,1,3-5H3/b10-7+,11-6+.
What are the key properties of N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine?
N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine 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)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine is sourced from PubChem (CID 123590724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).