N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine

C19H33N — CID 123237410

IUPACN-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine
SMILESC=CCC(CC=CC(C)CCCC=CC(C)C)/N=C/C
InChIInChI=1S/C19H33N/c1-6-12-19(20-7-2)16-11-15-18(5)14-10-8-9-13-17(3)4/h6-7,9,11,13,15,17-19H,1,8,10,12,14,16H2,2-5H3/b13-9?,15-11?,20-7+
InChIKeyPYFYCPOXOXTTGQ-OQCIFCFESA-N
MW275.48 g/mol
LogP5.99
Rot. Bonds11

About N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine

N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine (PubChem CID 123237410) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine.

Molecular Properties

Compound NameN-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine
PubChem CID123237410
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine
SMILESC=CCC(CC=CC(C)CCCC=CC(C)C)/N=C/C
InChIInChI=1S/C19H33N/c1-6-12-19(20-7-2)16-11-15-18(5)14-10-8-9-13-17(3)4/h6-7,9,11,13,15,17-19H,1,8,10,12,14,16H2,2-5H3/b13-9?,15-11?,20-7+
InChIKeyPYFYCPOXOXTTGQ-OQCIFCFESA-N
XLogP5.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.99
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

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
Azacyclododeca-1,5,9-triene, 3,3-dimethyl-12-(1-methylethyl)-
CID 5367662
5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390
3,3-Dimethyl-12-isopropyl-1-aza-1,5,9-cyclododecatriene
CID 557512
(4E,8E)-11,11-dimethyl-2-propan-2-yl-1-azacyclododeca-4,8,12-triene
CID 6536914
(4Z,8Z)-11-butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 20436116
(4Z,8Z)-11,11-diethyl-2-pentan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436120
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
(4E,8E)-11-butyl-2,11-diethyl-1-azacyclododeca-4,8,12-triene
CID 22811542
(4E,8E)-11,11-diethyl-2-pentan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811543
(4E,8E)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 22811545
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519

Frequently Asked Questions

What is the IUPAC name of N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine?
The IUPAC name of N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine (CID 123237410) is N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine.
What is the SMILES notation for N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine?
The canonical SMILES for N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine is C=CCC(CC=CC(C)CCCC=CC(C)C)/N=C/C.
What is the InChIKey of N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine?
The InChIKey is PYFYCPOXOXTTGQ-OQCIFCFESA-N. The full InChI is InChI=1S/C19H33N/c1-6-12-19(20-7-2)16-11-15-18(5)14-10-8-9-13-17(3)4/h6-7,9,11,13,15,17-19H,1,8,10,12,14,16H2,2-5H3/b13-9?,15-11?,20-7+.
What are the key properties of N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine?
N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine has a molecular weight of 275.48 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,14-dimethylpentadeca-1,6,12-trien-4-yl)ethanimine is sourced from PubChem (CID 123237410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).