N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide

C34H78N10O2 — CID 21115050

IUPACN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide
SMILESCCCCCCCCC(O)N(CCCCCCCC(=O)NCCNCCNCCNCCN)CCNCCNCCNCCCN
InChIInChI=1S/C34H78N10O2/c1-2-3-4-5-8-11-15-34(46)44(32-30-42-27-26-39-22-20-37-18-13-16-35)31-12-9-6-7-10-14-33(45)43-29-28-41-25-24-40-23-21-38-19-17-36/h34,37-42,46H,2-32,35-36H2,1H3,(H,43,45)
InChIKeyBHOUVFZHIJDBQJ-UHFFFAOYSA-N
MW659.07 g/mol
LogP0.66
Rot. Bonds39

About N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide

N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide (PubChem CID 21115050) has the molecular formula C34H78N10O2 and a molecular weight of 659.07 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide
PubChem CID21115050
Molecular FormulaC34H78N10O2
Molecular Weight659.07 g/mol
Exact Mass658.63
IUPAC NameN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide
SMILESCCCCCCCCC(O)N(CCCCCCCC(=O)NCCNCCNCCNCCN)CCNCCNCCNCCCN
InChIInChI=1S/C34H78N10O2/c1-2-3-4-5-8-11-15-34(46)44(32-30-42-27-26-39-22-20-37-18-13-16-35)31-12-9-6-7-10-14-33(45)43-29-28-41-25-24-40-23-21-38-19-17-36/h34,37-42,46H,2-32,35-36H2,1H3,(H,43,45)
InChIKeyBHOUVFZHIJDBQJ-UHFFFAOYSA-N
XLogP0.66
TPSA176.79 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds39
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500659.07
LogP ≤ 50.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
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,N'-bis(2-aminoethyl)-10,11-dioctylicosanediamide
CID 58975602
N,N'-bis(2-aminoethyl)-7,8-didecyltetradecanediamide
CID 89347828
N-(2-aminoethyl)nonanamide
CID 13028008
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
(Z)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
CID 20836285
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
acetic acid;N-(2-aminoethyl)octanamide
CID 161257212

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide (CID 21115050) is N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide is CCCCCCCCC(O)N(CCCCCCCC(=O)NCCNCCNCCNCCN)CCNCCNCCNCCCN.
What is the InChIKey of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide?
The InChIKey is BHOUVFZHIJDBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H78N10O2/c1-2-3-4-5-8-11-15-34(46)44(32-30-42-27-26-39-22-20-37-18-13-16-35)31-12-9-6-7-10-14-33(45)43-29-28-41-25-24-40-23-21-38-19-17-36/h34,37-42,46H,2-32,35-36H2,1H3,(H,43,45).
What are the key properties of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide?
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide has a molecular weight of 659.07 g/mol, XLogP of 0.66, 39 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-8-[2-[2-[2-(3-aminopropylamino)ethylamino]ethylamino]ethyl-(1-hydroxynonyl)amino]octanamide is sourced from PubChem (CID 21115050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).