N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide

C18H42N6O — CID 71344394

IUPACN-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
SMILESCCCCCCCC(=O)NCCNCCNCCNCCNCCN
InChIInChI=1S/C18H42N6O/c1-2-3-4-5-6-7-18(25)24-17-16-23-15-14-22-13-12-21-11-10-20-9-8-19/h20-23H,2-17,19H2,1H3,(H,24,25)
InChIKeyCBDUJOLCJKYVJS-UHFFFAOYSA-N
MW358.58 g/mol
LogP-0.22
Rot. Bonds20

About N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide

N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide (PubChem CID 71344394) has the molecular formula C18H42N6O and a molecular weight of 358.58 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
PubChem CID71344394
Molecular FormulaC18H42N6O
Molecular Weight358.58 g/mol
Exact Mass358.34
IUPAC NameN-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
SMILESCCCCCCCC(=O)NCCNCCNCCNCCNCCN
InChIInChI=1S/C18H42N6O/c1-2-3-4-5-6-7-18(25)24-17-16-23-15-14-22-13-12-21-11-10-20-9-8-19/h20-23H,2-17,19H2,1H3,(H,24,25)
InChIKeyCBDUJOLCJKYVJS-UHFFFAOYSA-N
XLogP-0.22
TPSA103.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.58
LogP ≤ 5-0.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
(Z)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
CID 20836285
N-(2-aminoethyl)nonanamide
CID 13028008
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
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
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
acetic acid;N-(2-aminoethyl)octanamide
CID 161257212
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide?
The IUPAC name of N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide (CID 71344394) is N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide?
The canonical SMILES for N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide is CCCCCCCC(=O)NCCNCCNCCNCCNCCN.
What is the InChIKey of N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide?
The InChIKey is CBDUJOLCJKYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N6O/c1-2-3-4-5-6-7-18(25)24-17-16-23-15-14-22-13-12-21-11-10-20-9-8-19/h20-23H,2-17,19H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide?
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide has a molecular weight of 358.58 g/mol, XLogP of -0.22, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide is sourced from PubChem (CID 71344394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).