7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine

C16H28N2 — CID 123758535

IUPAC7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine
SMILES[H]/N=C(\CCC=C)CC(CC(C)=C(C)CC)/N=C/C
InChIInChI=1S/C16H28N2/c1-6-9-10-15(17)12-16(18-8-3)11-14(5)13(4)7-2/h6,8,16-17H,1,7,9-12H2,2-5H3/b14-13?,17-15+,18-8+
InChIKeyAWOPSVJBNLFVTL-BLIWQVQYSA-N
MW248.41 g/mol
LogP4.96
Rot. Bonds9

About 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine

7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine (PubChem CID 123758535) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine.

Molecular Properties

Compound Name7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine
PubChem CID123758535
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine
SMILES[H]/N=C(\CCC=C)CC(CC(C)=C(C)CC)/N=C/C
InChIInChI=1S/C16H28N2/c1-6-9-10-15(17)12-16(18-8-3)11-14(5)13(4)7-2/h6,8,16-17H,1,7,9-12H2,2-5H3/b14-13?,17-15+,18-8+
InChIKeyAWOPSVJBNLFVTL-BLIWQVQYSA-N
XLogP4.96
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
CID 54535522
[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
CID 57216431
(3Z)-9-methyl-2-N-(4-methyldeca-2,3,8-trienyl)nonadeca-3,9,18-triene-2,14-diimine
CID 123267723
(2E,5Z)-1-[2-[(E)-hept-2-enimidoyl]cycloocten-1-yl]octa-2,5-diene-1,8-diimine
CID 123916041
N-[(8E)-4-(ethylideneamino)-8-methyldeca-1,8-dien-2-yl]butan-2-imine
CID 156030267
(2S)-N-methyl-1-[(2S,8E)-4-methylidenedodeca-8,11-dien-2-yl]iminopropan-2-amine
CID 163540229
(5Z)-5-(2-ethenyliminoethylidene)-3-propan-2-yliminonon-1-en-1-amine
CID 173986080
1-[4-(2-ethyl-3-methylidene-2H-pyridin-4-yl)cyclohexa-1,3-dien-1-yl]propan-2-imine
CID 174246384

Frequently Asked Questions

What is the IUPAC name of 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine?
The IUPAC name of 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine (CID 123758535) is 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine.
What is the SMILES notation for 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine?
The canonical SMILES for 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine is [H]/N=C(\CCC=C)CC(CC(C)=C(C)CC)/N=C/C.
What is the InChIKey of 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine?
The InChIKey is AWOPSVJBNLFVTL-BLIWQVQYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-9-10-15(17)12-16(18-8-3)11-14(5)13(4)7-2/h6,8,16-17H,1,7,9-12H2,2-5H3/b14-13?,17-15+,18-8+.
What are the key properties of 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine?
7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine has a molecular weight of 248.41 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-ethylidene-9,10-dimethyldodeca-1,9-diene-5,7-diimine is sourced from PubChem (CID 123758535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).