6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine

C29H57NO2 — CID 131967759

IUPAC6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(COCC(C)CCCCNC)OC
InChIInChI=1S/C29H57NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(31-4)27-32-26-28(2)23-21-22-25-30-3/h9-10,12-13,28-30H,5-8,11,14-27H2,1-4H3/b10-9-,13-12-
InChIKeyKMYYKDDYSHNHRI-UTJQPWESSA-N
MW451.78 g/mol
LogP8.25
Rot. Bonds25

About 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine

6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine (PubChem CID 131967759) has the molecular formula C29H57NO2 and a molecular weight of 451.78 g/mol. Its IUPAC name is 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine
PubChem CID131967759
Molecular FormulaC29H57NO2
Molecular Weight451.78 g/mol
Exact Mass451.44
IUPAC Name6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(COCC(C)CCCCNC)OC
InChIInChI=1S/C29H57NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(31-4)27-32-26-28(2)23-21-22-25-30-3/h9-10,12-13,28-30H,5-8,11,14-27H2,1-4H3/b10-9-,13-12-
InChIKeyKMYYKDDYSHNHRI-UTJQPWESSA-N
XLogP8.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.78
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine with MolForge

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Related Compounds

N-methyloctadeca-9,12-dien-1-amine
CID 72503072
(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
CID 175800296
[(6E,9E,28E,31E)-heptatriaconta-6,9,28,31-tetraen-19-yl] 4-(methylamino)butanoate
CID 139503106
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
N-methyl-3-nonylicos-11-en-1-amine
CID 166036929
(E)-20-methyloctacos-4-ene
CID 173194294
heptatriaconta-6,9,28,31-tetraen-19-yl N-(5-methylhexyl)carbamate
CID 123444717
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
(Z)-14-methoxypentadec-7-ene
CID 87205017

Frequently Asked Questions

What is the IUPAC name of 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine?
The IUPAC name of 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine (CID 131967759) is 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine?
The canonical SMILES for 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCC(COCC(C)CCCCNC)OC.
What is the InChIKey of 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine?
The InChIKey is KMYYKDDYSHNHRI-UTJQPWESSA-N. The full InChI is InChI=1S/C29H57NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(31-4)27-32-26-28(2)23-21-22-25-30-3/h9-10,12-13,28-30H,5-8,11,14-27H2,1-4H3/b10-9-,13-12-.
What are the key properties of 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine?
6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine has a molecular weight of 451.78 g/mol, XLogP of 8.25, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 131967759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).