2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine

C15H26N2 — CID 90756119

IUPAC2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine
SMILESC=C(C(/N=C(/C=N/CC)CC)=C(C)C)C(C)C
InChIInChI=1S/C15H26N2/c1-8-14(10-16-9-2)17-15(12(5)6)13(7)11(3)4/h10-11H,7-9H2,1-6H3/b16-10+,17-14+
InChIKeyHXDXADHXLOYWPW-RTIZFMKRSA-N
MW234.39 g/mol
LogP4.43
Rot. Bonds6

About 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine

2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine (PubChem CID 90756119) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine.

Molecular Properties

Compound Name2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine
PubChem CID90756119
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine
SMILESC=C(C(/N=C(/C=N/CC)CC)=C(C)C)C(C)C
InChIInChI=1S/C15H26N2/c1-8-14(10-16-9-2)17-15(12(5)6)13(7)11(3)4/h10-11H,7-9H2,1-6H3/b16-10+,17-14+
InChIKeyHXDXADHXLOYWPW-RTIZFMKRSA-N
XLogP4.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.43
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

5-(3-methylbut-1-en-2-yl)-3H-pyrrole
CID 59657423
2-Methylidene-3,4-di(propan-2-yl)pyrrole
CID 60125762
1-[(2S)-2,3-dimethyl-3,6-dihydro-2H-azepin-5-yl]ethenamine
CID 69915408
N-[(2Z,4E)-4-ethylhexa-2,4-dien-3-yl]propan-1-imine
CID 89881302
3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
CID 90880500
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
N-[(2E,4E)-5,6-dimethylhepta-2,4-dien-3-yl]butan-1-imine
CID 91216682
N-(2,4-dimethylpenta-1,3-dien-3-yl)propan-1-imine
CID 91516831
N-(2,6-dimethylhepta-2,4,6-trien-3-yl)-2-methylpropan-1-imine
CID 123334804
(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine
CID 123747560
N-(3,4-dimethylhexa-1,3-dien-2-yl)-2-methylpropan-1-imine
CID 123963463
1-N-ethyl-2-N-(2-methyl-4-methylidenehept-2-en-3-yl)butane-1,2-diimine
CID 123987371

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine?
The IUPAC name of 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine (CID 90756119) is 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine.
What is the SMILES notation for 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine?
The canonical SMILES for 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine is C=C(C(/N=C(/C=N/CC)CC)=C(C)C)C(C)C.
What is the InChIKey of 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine?
The InChIKey is HXDXADHXLOYWPW-RTIZFMKRSA-N. The full InChI is InChI=1S/C15H26N2/c1-8-14(10-16-9-2)17-15(12(5)6)13(7)11(3)4/h10-11H,7-9H2,1-6H3/b16-10+,17-14+.
What are the key properties of 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine?
2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine has a molecular weight of 234.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine is sourced from PubChem (CID 90756119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).