N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine

C17H33N — CID 123889684

IUPACN-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine
SMILESC/C=N/C(CC=CCC)CC(C)CC(C)C(C)C
InChIInChI=1S/C17H33N/c1-7-9-10-11-17(18-8-2)13-15(5)12-16(6)14(3)4/h8-10,14-17H,7,11-13H2,1-6H3/b10-9?,18-8+
InChIKeyUMSKPBMIXGXCLI-WPZXZKHQSA-N
MW251.46 g/mol
LogP5.51
Rot. Bonds9

About N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine

N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine (PubChem CID 123889684) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine.

Molecular Properties

Compound NameN-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine
PubChem CID123889684
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine
SMILESC/C=N/C(CC=CCC)CC(C)CC(C)C(C)C
InChIInChI=1S/C17H33N/c1-7-9-10-11-17(18-8-2)13-15(5)12-16(6)14(3)4/h8-10,14-17H,7,11-13H2,1-6H3/b10-9?,18-8+
InChIKeyUMSKPBMIXGXCLI-WPZXZKHQSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.51
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

(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4Z,8Z)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436140
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540
(4E,8E)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811544
11-Methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 53803190
5-methyl-N-octadec-9-enylhexan-2-imine
CID 54431641
3-Ethyl-3-n-butyl-12-(3-heptyl)-1-aza-1,5,9-cyclododecatriene
CID 54478278

Frequently Asked Questions

What is the IUPAC name of N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine?
The IUPAC name of N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine (CID 123889684) is N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine.
What is the SMILES notation for N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine?
The canonical SMILES for N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine is C/C=N/C(CC=CCC)CC(C)CC(C)C(C)C.
What is the InChIKey of N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine?
The InChIKey is UMSKPBMIXGXCLI-WPZXZKHQSA-N. The full InChI is InChI=1S/C17H33N/c1-7-9-10-11-17(18-8-2)13-15(5)12-16(6)14(3)4/h8-10,14-17H,7,11-13H2,1-6H3/b10-9?,18-8+.
What are the key properties of N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine?
N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine has a molecular weight of 251.46 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,10,11-trimethyldodec-3-en-6-yl)ethanimine is sourced from PubChem (CID 123889684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).