N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane

C9H17N — CID 144826241

IUPACN-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane
SMILESC=N/C=C(/C)C(=C)C.CC
InChIInChI=1S/C7H11N.C2H6/c1-6(2)7(3)5-8-4;1-2/h5H,1,4H2,2-3H3;1-2H3/b7-5-;
InChIKeyFEEPUBKNVFEZHY-YJOCEBFMSA-N
MW139.24 g/mol
LogP3.19
Rot. Bonds2

About N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane

N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane (PubChem CID 144826241) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane.

Molecular Properties

Compound NameN-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane
PubChem CID144826241
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane
SMILESC=N/C=C(/C)C(=C)C.CC
InChIInChI=1S/C7H11N.C2H6/c1-6(2)7(3)5-8-4;1-2/h5H,1,4H2,2-3H3;1-2H3/b7-5-;
InChIKeyFEEPUBKNVFEZHY-YJOCEBFMSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.19
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-methylbuta-1,3-dienyl)methanimine
CID 90721030
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-[(1E)-2,3-dimethylbuta-1,3-dienyl]ethanimine
CID 123219705
N-(2-ethylbuta-1,3-dienyl)methanimine
CID 123335601
N-(2-methylbut-1-enyl)methanimine
CID 123446549
N-(2,3,3-trimethylbut-1-enyl)methanimine
CID 123648567
Methyl-methylidene-(2-methylpent-1-enyl)azanium
CID 123658190
N-(2-methylbuta-1,3-dienyl)methanimine
CID 123679694
N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]ethanimine
CID 123817501

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane?
The IUPAC name of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane (CID 144826241) is N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane.
What is the SMILES notation for N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane?
The canonical SMILES for N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane is C=N/C=C(/C)C(=C)C.CC.
What is the InChIKey of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane?
The InChIKey is FEEPUBKNVFEZHY-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-6(2)7(3)5-8-4;1-2/h5H,1,4H2,2-3H3;1-2H3/b7-5-;.
What are the key properties of N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane?
N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane has a molecular weight of 139.24 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine;ethane is sourced from PubChem (CID 144826241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).