(8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide

C28H56N4O — CID 24905453

IUPAC(8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide
SMILESCCCCCC/C=C\C/C=C\CCCCCCC(=O)NC(CCCN)(CCCN)CCCN
InChIInChI=1S/C28H56N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(33)32-28(21-17-24-29,22-18-25-30)23-19-26-31/h7-8,10-11H,2-6,9,12-26,29-31H2,1H3,(H,32,33)/b8-7-,11-10-
InChIKeyMGZWYYAXISIOEC-NQLNTKRDSA-N
MW464.78 g/mol
LogP5.87
Rot. Bonds24

About (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide

(8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide (PubChem CID 24905453) has the molecular formula C28H56N4O and a molecular weight of 464.78 g/mol. Its IUPAC name is (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide.

Molecular Properties

Compound Name(8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide
PubChem CID24905453
Molecular FormulaC28H56N4O
Molecular Weight464.78 g/mol
Exact Mass464.45
IUPAC Name(8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide
SMILESCCCCCC/C=C\C/C=C\CCCCCCC(=O)NC(CCCN)(CCCN)CCCN
InChIInChI=1S/C28H56N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(33)32-28(21-17-24-29,22-18-25-30)23-19-26-31/h7-8,10-11H,2-6,9,12-26,29-31H2,1H3,(H,32,33)/b8-7-,11-10-
InChIKeyMGZWYYAXISIOEC-NQLNTKRDSA-N
XLogP5.87
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 55.87
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 (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadec-8-enamide;trihydrochloride
CID 24905450
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581
[2-(octadec-9-enoylamino)-3-octadec-9-enoyloxy-2-(octadec-9-enoyloxymethyl)propyl] octadec-9-enoate
CID 173442555
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide
CID 3023011
(9E,12E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 6366313
(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752
(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441
(Z)-N-(4-aminobutyl)pentadec-9-enamide
CID 171117158
hexacosa-17,20-dien-9-one
CID 163047379
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide?
The IUPAC name of (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide (CID 24905453) is (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide.
What is the SMILES notation for (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide?
The canonical SMILES for (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide is CCCCCC/C=C\C/C=C\CCCCCCC(=O)NC(CCCN)(CCCN)CCCN.
What is the InChIKey of (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide?
The InChIKey is MGZWYYAXISIOEC-NQLNTKRDSA-N. The full InChI is InChI=1S/C28H56N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(33)32-28(21-17-24-29,22-18-25-30)23-19-26-31/h7-8,10-11H,2-6,9,12-26,29-31H2,1H3,(H,32,33)/b8-7-,11-10-.
What are the key properties of (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide?
(8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide has a molecular weight of 464.78 g/mol, XLogP of 5.87, 24 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z)-N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]octadeca-8,11-dienamide is sourced from PubChem (CID 24905453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).