(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine

C24H41N — CID 90720795

IUPAC(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
SMILES[H]/N=C(\C)C/C=C(\CC)CC(C)C(=C)C(C)CC=CC(C)=CCC(C)C
InChIInChI=1S/C24H41N/c1-9-24(16-15-22(7)25)17-21(6)23(8)20(5)12-10-11-19(4)14-13-18(2)3/h10-11,14,16,18,20-21,25H,8-9,12-13,15,17H2,1-7H3/b11-10?,19-14?,24-16+,25-22+
InChIKeyDMKHNGZREKKJCJ-LOEHRLCPSA-N
MW343.60 g/mol
LogP7.91
Rot. Bonds12

About (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine

(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine (PubChem CID 90720795) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine.

Molecular Properties

Compound Name(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
PubChem CID90720795
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
SMILES[H]/N=C(\C)C/C=C(\CC)CC(C)C(=C)C(C)CC=CC(C)=CCC(C)C
InChIInChI=1S/C24H41N/c1-9-24(16-15-22(7)25)17-21(6)23(8)20(5)12-10-11-19(4)14-13-18(2)3/h10-11,14,16,18,20-21,25H,8-9,12-13,15,17H2,1-7H3/b11-10?,19-14?,24-16+,25-22+
InChIKeyDMKHNGZREKKJCJ-LOEHRLCPSA-N
XLogP7.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
CID 142313968
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
CID 144913873
4-[(3E,7E)-7-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]nona-3,7-dien-2-yl]cyclohex-3-en-1-imine
CID 162546879
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774

Frequently Asked Questions

What is the IUPAC name of (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine?
The IUPAC name of (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine (CID 90720795) is (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine.
What is the SMILES notation for (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine?
The canonical SMILES for (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine is [H]/N=C(\C)C/C=C(\CC)CC(C)C(=C)C(C)CC=CC(C)=CCC(C)C.
What is the InChIKey of (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine?
The InChIKey is DMKHNGZREKKJCJ-LOEHRLCPSA-N. The full InChI is InChI=1S/C24H41N/c1-9-24(16-15-22(7)25)17-21(6)23(8)20(5)12-10-11-19(4)14-13-18(2)3/h10-11,14,16,18,20-21,25H,8-9,12-13,15,17H2,1-7H3/b11-10?,19-14?,24-16+,25-22+.
What are the key properties of (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine?
(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine has a molecular weight of 343.60 g/mol, XLogP of 7.91, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine is sourced from PubChem (CID 90720795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).