N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide

C24H48N4O — CID 3023011

IUPACN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN
InChIInChI=1S/C24H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29)
InChIKeyZOHQBCHYQPFLNG-UHFFFAOYSA-N
MW408.68 g/mol
LogP4.05
Rot. Bonds22

About N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide (PubChem CID 3023011) has the molecular formula C24H48N4O and a molecular weight of 408.68 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide
PubChem CID3023011
Molecular FormulaC24H48N4O
Molecular Weight408.68 g/mol
Exact Mass408.38
IUPAC NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN
InChIInChI=1S/C24H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29)
InChIKeyZOHQBCHYQPFLNG-UHFFFAOYSA-N
XLogP4.05
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 54.05
H-Bond Donors ≤ 54
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-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide with MolForge

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Related Compounds

(9E,12E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 6366313
(Z)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
CID 20836285
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
CID 71344394
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
(Z)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]octadec-9-enamide
CID 10819608
(E)-N-[3-(4-aminobutylamino)propyl]octadec-9-enamide
CID 6366527
N-(2-aminoethyl)hexadecanamide;(Z)-docos-13-enoic acid
CID 174758491

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide?
The IUPAC name of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide (CID 3023011) is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide.
What is the SMILES notation for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide?
The canonical SMILES for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide is CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCN.
What is the InChIKey of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide?
The InChIKey is ZOHQBCHYQPFLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29).
What are the key properties of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide?
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide has a molecular weight of 408.68 g/mol, XLogP of 4.05, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide is sourced from PubChem (CID 3023011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).