N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine

C18H33N — CID 91347644

IUPACN-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine
SMILESC=NC(CC)CC(C)=CCC(C)C=C(CC)C(C)C
InChIInChI=1S/C18H33N/c1-8-17(14(3)4)12-15(5)10-11-16(6)13-18(9-2)19-7/h11-12,14-15,18H,7-10,13H2,1-6H3
InChIKeyXHDZROWZFRROMF-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.82
Rot. Bonds9

About N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine

N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine (PubChem CID 91347644) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine.

Molecular Properties

Compound NameN-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine
PubChem CID91347644
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine
SMILESC=NC(CC)CC(C)=CCC(C)C=C(CC)C(C)C
InChIInChI=1S/C18H33N/c1-8-17(14(3)4)12-15(5)10-11-16(6)13-18(9-2)19-7/h11-12,14-15,18H,7-10,13H2,1-6H3
InChIKeyXHDZROWZFRROMF-UHFFFAOYSA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.82
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'}

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Related Compounds

N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine
CID 134379330
N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
N-(4,6-dimethyldec-3-en-5-yl)methanimine
CID 91311305
N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine
CID 123237410
N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine
CID 123423630
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
N-[(E)-3,4-dimethylhex-4-en-2-yl]methanimine
CID 126591167
N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
CID 126641636
N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine
CID 126690373
N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine
CID 134332940
N-[(Z)-4-methylnon-7-en-3-yl]methanimine
CID 134448807
ethane;(2Z)-2-ethylidene-N-(3-methylpentan-2-yl)pentan-1-imine;4-methylheptane
CID 141939768

Frequently Asked Questions

What is the IUPAC name of N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine?
The IUPAC name of N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine (CID 91347644) is N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine.
What is the SMILES notation for N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine?
The canonical SMILES for N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine is C=NC(CC)CC(C)=CCC(C)C=C(CC)C(C)C.
What is the InChIKey of N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine?
The InChIKey is XHDZROWZFRROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-8-17(14(3)4)12-15(5)10-11-16(6)13-18(9-2)19-7/h11-12,14-15,18H,7-10,13H2,1-6H3.
What are the key properties of N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine?
N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine has a molecular weight of 263.47 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-ethyl-5,8,11-trimethyldodeca-5,9-dien-3-yl)methanimine is sourced from PubChem (CID 91347644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).