N-(2-ethylbuta-1,3-dienyl)methanimine

C7H11N — CID 123335601

IUPACN-(2-ethylbuta-1,3-dienyl)methanimine
SMILESC=CC(=CN=C)CC
InChIInChI=1S/C7H11N/c1-4-7(5-2)6-8-3/h4,6H,1,3,5H2,2H3
InChIKeyLLDFIOBIJSLIPQ-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds3

About N-(2-ethylbuta-1,3-dienyl)methanimine

N-(2-ethylbuta-1,3-dienyl)methanimine (PubChem CID 123335601) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-(2-ethylbuta-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(2-ethylbuta-1,3-dienyl)methanimine
PubChem CID123335601
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-(2-ethylbuta-1,3-dienyl)methanimine
SMILESC=CC(=CN=C)CC
InChIInChI=1S/C7H11N/c1-4-7(5-2)6-8-3/h4,6H,1,3,5H2,2H3
InChIKeyLLDFIOBIJSLIPQ-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143420581
N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
CID 163369917
N-(3-methylbut-1-enyl)methanimine
CID 23558826
N-[(1Z)-3-methylidenepenta-1,4-dienyl]methanimine
CID 87164006
N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine
CID 88315786
N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine
CID 88874862
N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
CID 88884962
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
N-[(Z)-3-methylpent-1-enyl]methanimine
CID 89064206
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbuta-1,3-dienyl)methanimine?
The IUPAC name of N-(2-ethylbuta-1,3-dienyl)methanimine (CID 123335601) is N-(2-ethylbuta-1,3-dienyl)methanimine.
What is the SMILES notation for N-(2-ethylbuta-1,3-dienyl)methanimine?
The canonical SMILES for N-(2-ethylbuta-1,3-dienyl)methanimine is C=CC(=CN=C)CC.
What is the InChIKey of N-(2-ethylbuta-1,3-dienyl)methanimine?
The InChIKey is LLDFIOBIJSLIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(5-2)6-8-3/h4,6H,1,3,5H2,2H3.
What are the key properties of N-(2-ethylbuta-1,3-dienyl)methanimine?
N-(2-ethylbuta-1,3-dienyl)methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbuta-1,3-dienyl)methanimine is sourced from PubChem (CID 123335601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).