N-[2-(2-aminoethylamino)ethyl]heptadecanamide

C21H45N3O — CID 13469785

IUPACN-[2-(2-aminoethylamino)ethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCCNCCN
InChIInChI=1S/C21H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)24-20-19-23-18-17-22/h23H,2-20,22H2,1H3,(H,24,25)
InChIKeyIRQMSQOLWBTJLR-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.52
Rot. Bonds20

About N-[2-(2-aminoethylamino)ethyl]heptadecanamide

N-[2-(2-aminoethylamino)ethyl]heptadecanamide (PubChem CID 13469785) has the molecular formula C21H45N3O and a molecular weight of 355.61 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]heptadecanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]heptadecanamide
PubChem CID13469785
Molecular FormulaC21H45N3O
Molecular Weight355.61 g/mol
Exact Mass355.36
IUPAC NameN-[2-(2-aminoethylamino)ethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCCNCCN
InChIInChI=1S/C21H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)24-20-19-23-18-17-22/h23H,2-20,22H2,1H3,(H,24,25)
InChIKeyIRQMSQOLWBTJLR-UHFFFAOYSA-N
XLogP4.52
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
(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-aminoethylamino)ethyl]heptadecanamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]heptadecanamide (CID 13469785) is N-[2-(2-aminoethylamino)ethyl]heptadecanamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]heptadecanamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]heptadecanamide is CCCCCCCCCCCCCCCCC(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]heptadecanamide?
The InChIKey is IRQMSQOLWBTJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)24-20-19-23-18-17-22/h23H,2-20,22H2,1H3,(H,24,25).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]heptadecanamide?
N-[2-(2-aminoethylamino)ethyl]heptadecanamide has a molecular weight of 355.61 g/mol, XLogP of 4.52, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]heptadecanamide is sourced from PubChem (CID 13469785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).