N,N-diethylethanamine;(Z)-octadec-9-enoic acid

C24H49NO2 — CID 6441319

IUPACN,N-diethylethanamine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCN(CC)CC
InChIInChI=1S/C18H34O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7(5-2)6-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-6H2,1-3H3/b10-9-;
InChIKeyGCVIWLTVOFILLW-KVVVOXFISA-N
MW383.66 g/mol
LogP7.46
Rot. Bonds18

About N,N-diethylethanamine;(Z)-octadec-9-enoic acid

N,N-diethylethanamine;(Z)-octadec-9-enoic acid (PubChem CID 6441319) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is N,N-diethylethanamine;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;(Z)-octadec-9-enoic acid
PubChem CID6441319
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC NameN,N-diethylethanamine;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCN(CC)CC
InChIInChI=1S/C18H34O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7(5-2)6-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-6H2,1-3H3/b10-9-;
InChIKeyGCVIWLTVOFILLW-KVVVOXFISA-N
XLogP7.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Octadecenoic acid (9Z)-, compd. with N-butyl-1-butanamine (1:1)
CID 5354265
Triethanolamine Oleate
CID 6433344
Ammonium Oleate
CID 6435897
9-Octadecenoic acid (9Z)-, compd. with N1-(2-aminoethyl)-1,2-ethanediamine (1:?)
CID 6441410
9-Octadecenoic acid (9Z)-, compd. with N-ethylethanamine (1:1)
CID 6441406
9-Octadecenoic acid (9Z)-, compd. with 2-(diethylamino)ethanol (1:1)
CID 6441727
9-Octadecenoic acid (9Z)-, reaction products with triethylenetetramine
CID 6455972
13-(N-Isopropylheptanamido)tridec-8(Z)-enoic acid
CID 44235173
9,12-Octadecadienoic acid (9Z,12Z)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
CID 6441715
13-(N-Methyl-n-heptnamido)tridec-8(Z)-enoic acid
CID 44235172
Dimethyl lauramine oleate
CID 44148102
2-(Bis(2-hydroxyethyl)amino)ethyl (9Z)-9-octadecenoate
CID 6436365

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;(Z)-octadec-9-enoic acid?
The IUPAC name of N,N-diethylethanamine;(Z)-octadec-9-enoic acid (CID 6441319) is N,N-diethylethanamine;(Z)-octadec-9-enoic acid.
What is the SMILES notation for N,N-diethylethanamine;(Z)-octadec-9-enoic acid?
The canonical SMILES for N,N-diethylethanamine;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;(Z)-octadec-9-enoic acid?
The InChIKey is GCVIWLTVOFILLW-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7(5-2)6-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-6H2,1-3H3/b10-9-;.
What are the key properties of N,N-diethylethanamine;(Z)-octadec-9-enoic acid?
N,N-diethylethanamine;(Z)-octadec-9-enoic acid has a molecular weight of 383.66 g/mol, XLogP of 7.46, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 6441319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).