N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine

C24H51N3O — CID 6450523

IUPACN'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine
SMILESCCOCCCCCCCC/C=C/CCCCCCCCNCCNCCN
InChIInChI=1S/C24H51N3O/c1-2-28-24-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-26-22-23-27-21-19-25/h3-4,26-27H,2,5-25H2,1H3/b4-3+
InChIKeyABVGYLLOXWOTAQ-ONEGZZNKSA-N
MW397.69 g/mol
LogP5.18
Rot. Bonds24

About N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine

N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 6450523) has the molecular formula C24H51N3O and a molecular weight of 397.69 g/mol. Its IUPAC name is N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine
PubChem CID6450523
Molecular FormulaC24H51N3O
Molecular Weight397.69 g/mol
Exact Mass397.40
IUPAC NameN'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine
SMILESCCOCCCCCCCC/C=C/CCCCCCCCNCCNCCN
InChIInChI=1S/C24H51N3O/c1-2-28-24-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-26-22-23-27-21-19-25/h3-4,26-27H,2,5-25H2,1H3/b4-3+
InChIKeyABVGYLLOXWOTAQ-ONEGZZNKSA-N
XLogP5.18
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

16-Ethoxyhexadec-9-en-1-amine
CID 109650
(E)-16-ethoxyhexadec-9-en-1-amine
CID 6437490
(E)-22-ethoxydocos-13-en-1-amine
CID 6450540
18-Ethoxyoctadec-9-en-1-amine
CID 57002472
N',N'-dimethyl-N-(1-octadec-9-enoxyicos-11-en-2-yl)propane-1,3-diamine
CID 57244461
N-[3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]butan-1-amine
CID 58391201
bis[2-[[(Z)-heptadec-8-enoxy]methylamino]ethyl]-dimethylazanium
CID 58611470
N'-ethyl-N-[[(Z)-heptadec-8-enoxy]methyl]-N'-[2-[[(Z)-heptadec-8-enoxy]methylamino]ethyl]ethane-1,2-diamine
CID 58651711
N-[[(Z)-heptadec-8-enoxy]methyl]-N'-[2-[[(Z)-heptadec-8-enoxy]methylamino]ethyl]-N'-methylethane-1,2-diamine
CID 59117592
N'-ethyl-N-(heptadec-8-enoxymethyl)-N'-[2-(heptadec-8-enoxymethylamino)ethyl]ethane-1,2-diamine
CID 72382787
N-(heptadec-8-enoxymethyl)-N'-[2-(heptadec-8-enoxymethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 72521651
Bis[2-(heptadec-8-enoxymethylamino)ethyl]-dimethylazanium
CID 76837408

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine (CID 6450523) is N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine is CCOCCCCCCCC/C=C/CCCCCCCCNCCNCCN.
What is the InChIKey of N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is ABVGYLLOXWOTAQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H51N3O/c1-2-28-24-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-26-22-23-27-21-19-25/h3-4,26-27H,2,5-25H2,1H3/b4-3+.
What are the key properties of N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine?
N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 397.69 g/mol, XLogP of 5.18, 24 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(E)-18-ethoxyoctadec-9-enyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 6450523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).