(6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine

C28H41N — CID 123520160

IUPAC(6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine
SMILESC=C=C(CC)/C(C/C=C(\C)C(C1=CCCCCC=C1)C(C=CC(=C)C)CC)=N\C
InChIInChI=1S/C28H41N/c1-8-24(9-2)27(29-7)21-19-23(6)28(25(10-3)20-18-22(4)5)26-16-14-12-11-13-15-17-26/h14,16-20,25,28H,1,4,9-13,15,21H2,2-3,5-7H3/b16-14?,20-18?,23-19+,26-17?,29-27-
InChIKeyNUROWKXIBAILRJ-MBJHBWAJSA-N
MW391.64 g/mol
LogP8.35
Rot. Bonds10

About (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine

(6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine (PubChem CID 123520160) has the molecular formula C28H41N and a molecular weight of 391.64 g/mol. Its IUPAC name is (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine.

Molecular Properties

Compound Name(6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine
PubChem CID123520160
Molecular FormulaC28H41N
Molecular Weight391.64 g/mol
Exact Mass391.32
IUPAC Name(6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine
SMILESC=C=C(CC)/C(C/C=C(\C)C(C1=CCCCCC=C1)C(C=CC(=C)C)CC)=N\C
InChIInChI=1S/C28H41N/c1-8-24(9-2)27(29-7)21-19-23(6)28(25(10-3)20-18-22(4)5)26-16-14-12-11-13-15-17-26/h14,16-20,25,28H,1,4,9-13,15,21H2,2-3,5-7H3/b16-14?,20-18?,23-19+,26-17?,29-27-
InChIKeyNUROWKXIBAILRJ-MBJHBWAJSA-N
XLogP8.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 58.35
H-Bond Donors ≤ 50
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

(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine
CID 155393975
(5Z)-3-ethenyl-8-[(5E,7E)-5-fluoro-2,12-dimethyltrideca-1,3,5,7-tetraen-7-yl]-2,3,4,7-tetrahydroazocine
CID 169948391
(6Z)-6-[(2,4-dimethylcyclobutyl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
CID 68261447
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine
CID 91153524
(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
CID 91866614
N-butan-2-yl-10-(3-cyclohepta-2,4-dien-1-ylbut-3-en-2-ylidene)hexadec-3-en-8-imine
CID 123212759
8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine
CID 123223023
(4Z)-4-but-2-enylidene-5-methyl-3-propan-2-yl-2,3-dihydropyrrole
CID 123329021
N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine
CID 123358693
(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine
CID 123382625

Frequently Asked Questions

What is the IUPAC name of (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine?
The IUPAC name of (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine (CID 123520160) is (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine.
What is the SMILES notation for (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine?
The canonical SMILES for (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine is C=C=C(CC)/C(C/C=C(\C)C(C1=CCCCCC=C1)C(C=CC(=C)C)CC)=N\C.
What is the InChIKey of (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine?
The InChIKey is NUROWKXIBAILRJ-MBJHBWAJSA-N. The full InChI is InChI=1S/C28H41N/c1-8-24(9-2)27(29-7)21-19-23(6)28(25(10-3)20-18-22(4)5)26-16-14-12-11-13-15-17-26/h14,16-20,25,28H,1,4,9-13,15,21H2,2-3,5-7H3/b16-14?,20-18?,23-19+,26-17?,29-27-.
What are the key properties of (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine?
(6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine has a molecular weight of 391.64 g/mol, XLogP of 8.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine is sourced from PubChem (CID 123520160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).