(6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine

C29H51N — CID 123954394

IUPAC(6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine
SMILES[H]/N=C(C(\CC=C(CC)CC)=C(/C)CC)/C(CC(=CC)CC)C(CC)CC(C)=CCC
InChIInChI=1S/C29H51N/c1-10-17-22(8)20-26(16-7)28(21-25(14-5)15-6)29(30)27(23(9)11-2)19-18-24(12-3)13-4/h14,17-18,26,28,30H,10-13,15-16,19-21H2,1-9H3/b22-17?,25-14?,27-23+,30-29+
InChIKeyMMFRRBSQBZDXHS-KWMBAUCCSA-N
MW413.73 g/mol
LogP10.00
Rot. Bonds15

About (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine

(6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine (PubChem CID 123954394) has the molecular formula C29H51N and a molecular weight of 413.73 g/mol. Its IUPAC name is (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine.

Molecular Properties

Compound Name(6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine
PubChem CID123954394
Molecular FormulaC29H51N
Molecular Weight413.73 g/mol
Exact Mass413.40
IUPAC Name(6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine
SMILES[H]/N=C(C(\CC=C(CC)CC)=C(/C)CC)/C(CC(=CC)CC)C(CC)CC(C)=CCC
InChIInChI=1S/C29H51N/c1-10-17-22(8)20-26(16-7)28(21-25(14-5)15-6)29(30)27(23(9)11-2)19-18-24(12-3)13-4/h14,17-18,26,28,30H,10-13,15-16,19-21H2,1-9H3/b22-17?,25-14?,27-23+,30-29+
InChIKeyMMFRRBSQBZDXHS-KWMBAUCCSA-N
XLogP10.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 510.00
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'}

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Related Compounds

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CID 91340707
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CID 123491631
(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
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
(NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine
CID 58098931
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429

Frequently Asked Questions

What is the IUPAC name of (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine?
The IUPAC name of (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine (CID 123954394) is (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine.
What is the SMILES notation for (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine?
The canonical SMILES for (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine is [H]/N=C(C(\CC=C(CC)CC)=C(/C)CC)/C(CC(=CC)CC)C(CC)CC(C)=CCC.
What is the InChIKey of (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine?
The InChIKey is MMFRRBSQBZDXHS-KWMBAUCCSA-N. The full InChI is InChI=1S/C29H51N/c1-10-17-22(8)20-26(16-7)28(21-25(14-5)15-6)29(30)27(23(9)11-2)19-18-24(12-3)13-4/h14,17-18,26,28,30H,10-13,15-16,19-21H2,1-9H3/b22-17?,25-14?,27-23+,30-29+.
What are the key properties of (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine?
(6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine has a molecular weight of 413.73 g/mol, XLogP of 10.00, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-butan-2-ylidene-3,9-diethyl-8-(2-ethylbut-2-enyl)-11-methyltetradeca-3,11-dien-7-imine is sourced from PubChem (CID 123954394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).