1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine

C15H26N2 — CID 123987371

IUPAC1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine
SMILESC=C(CCC)C(/N=C(/C=N/CC)CC)=C(C)C
InChIInChI=1S/C15H26N2/c1-7-10-13(6)15(12(4)5)17-14(8-2)11-16-9-3/h11H,6-10H2,1-5H3/b16-11+,17-14+
InChIKeyYJZFMPLFWUTIFC-GIROIBLESA-N
MW234.39 g/mol
LogP4.58
Rot. Bonds7

About 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine

1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine (PubChem CID 123987371) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine
PubChem CID123987371
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine
SMILESC=C(CCC)C(/N=C(/C=N/CC)CC)=C(C)C
InChIInChI=1S/C15H26N2/c1-7-10-13(6)15(12(4)5)17-14(8-2)11-16-9-3/h11H,6-10H2,1-5H3/b16-11+,17-14+
InChIKeyYJZFMPLFWUTIFC-GIROIBLESA-N
XLogP4.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.58
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

(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
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
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
7-but-2-en-2-yl-5-methyl-6-prop-1-en-2-yl-3H-azepine
CID 91243509
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
CID 91436110
N-(2,4-dimethylpenta-1,3-dien-3-yl)propan-1-imine
CID 91516831
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-3,4-dihydropyridine
CID 117906908
N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine
CID 118518097
(4E)-4,6-dimethyl-5-[(methylideneamino)methyl]hepta-4,6-dien-2-imine
CID 123656422
(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine
CID 123747560
2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine
CID 123988997

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine?
The IUPAC name of 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine (CID 123987371) is 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine.
What is the SMILES notation for 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine?
The canonical SMILES for 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine is C=C(CCC)C(/N=C(/C=N/CC)CC)=C(C)C.
What is the InChIKey of 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine?
The InChIKey is YJZFMPLFWUTIFC-GIROIBLESA-N. The full InChI is InChI=1S/C15H26N2/c1-7-10-13(6)15(12(4)5)17-14(8-2)11-16-9-3/h11H,6-10H2,1-5H3/b16-11+,17-14+.
What are the key properties of 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine?
1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine has a molecular weight of 234.39 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine is sourced from PubChem (CID 123987371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).