2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine

C13H22N2 — CID 123988997

IUPAC2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine
SMILESC=C(C)C(/N=C(/C=N/CC)CC)=C(C)C
InChIInChI=1S/C13H22N2/c1-7-12(9-14-8-2)15-13(10(3)4)11(5)6/h9H,3,7-8H2,1-2,4-6H3/b14-9+,15-12+
InChIKeyQLYLHCXBPFOENF-WKDANBKTSA-N
MW206.33 g/mol
LogP3.80
Rot. Bonds5

About 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine

2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine (PubChem CID 123988997) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine.

Molecular Properties

Compound Name2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine
PubChem CID123988997
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine
SMILESC=C(C)C(/N=C(/C=N/CC)CC)=C(C)C
InChIInChI=1S/C13H22N2/c1-7-12(9-14-8-2)15-13(10(3)4)11(5)6/h9H,3,7-8H2,1-2,4-6H3/b14-9+,15-12+
InChIKeyQLYLHCXBPFOENF-WKDANBKTSA-N
XLogP3.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.80
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-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole
CID 59839732
5-ethenyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
CID 68300548
7-[(1Z)-buta-1,3-dienyl]-6-methyl-3H-azepine
CID 88243648
(Z)-N-[(4E,6Z)-4-ethenyl-6-methylnona-1,2,4,6-tetraen-3-yl]but-2-en-1-imine
CID 88886230
4,5-dimethyl-6-methylidene-3H-pyridine
CID 89005508
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-methylprop-2-en-1-imine
CID 89426810
N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]ethanimine
CID 89502557
N-[(2Z,4E)-4-ethylhexa-2,4-dien-3-yl]propan-1-imine
CID 89881302
2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine
CID 90756119
(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine
CID 90829351
N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine
CID 90909232

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine?
The IUPAC name of 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine (CID 123988997) is 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine.
What is the SMILES notation for 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine?
The canonical SMILES for 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine is C=C(C)C(/N=C(/C=N/CC)CC)=C(C)C.
What is the InChIKey of 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine?
The InChIKey is QLYLHCXBPFOENF-WKDANBKTSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-12(9-14-8-2)15-13(10(3)4)11(5)6/h9H,3,7-8H2,1-2,4-6H3/b14-9+,15-12+.
What are the key properties of 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine?
2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine has a molecular weight of 206.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine is sourced from PubChem (CID 123988997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).