N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine

C17H31N — CID 123713869

IUPACN-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine
SMILESC=C(C)CC(C)CCCC/C(C=C(C)C)=N\CC
InChIInChI=1S/C17H31N/c1-7-18-17(13-15(4)5)11-9-8-10-16(6)12-14(2)3/h13,16H,2,7-12H2,1,3-6H3/b18-17+
InChIKeyJQNUCMYICQNDLF-ISLYRVAYSA-N
MW249.44 g/mol
LogP5.58
Rot. Bonds9

About N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine

N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine (PubChem CID 123713869) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine.

Molecular Properties

Compound NameN-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine
PubChem CID123713869
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine
SMILESC=C(C)CC(C)CCCC/C(C=C(C)C)=N\CC
InChIInChI=1S/C17H31N/c1-7-18-17(13-15(4)5)11-9-8-10-16(6)12-14(2)3/h13,16H,2,7-12H2,1,3-6H3/b18-17+
InChIKeyJQNUCMYICQNDLF-ISLYRVAYSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine?
The IUPAC name of N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine (CID 123713869) is N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine.
What is the SMILES notation for N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine?
The canonical SMILES for N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine is C=C(C)CC(C)CCCC/C(C=C(C)C)=N\CC.
What is the InChIKey of N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine?
The InChIKey is JQNUCMYICQNDLF-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H31N/c1-7-18-17(13-15(4)5)11-9-8-10-16(6)12-14(2)3/h13,16H,2,7-12H2,1,3-6H3/b18-17+.
What are the key properties of N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine?
N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine has a molecular weight of 249.44 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,9,11-trimethyldodeca-2,11-dien-4-imine is sourced from PubChem (CID 123713869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).