N-(2-aminoethyl)-3-ethyloctanamide

C12H26N2O — CID 88999094

IUPACN-(2-aminoethyl)-3-ethyloctanamide
SMILESCCCCCC(CC)CC(=O)NCCN
InChIInChI=1S/C12H26N2O/c1-3-5-6-7-11(4-2)10-12(15)14-9-8-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyFDAFYIIXBHLELF-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds9

About N-(2-aminoethyl)-3-ethyloctanamide

N-(2-aminoethyl)-3-ethyloctanamide (PubChem CID 88999094) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyloctanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyloctanamide
PubChem CID88999094
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(2-aminoethyl)-3-ethyloctanamide
SMILESCCCCCC(CC)CC(=O)NCCN
InChIInChI=1S/C12H26N2O/c1-3-5-6-7-11(4-2)10-12(15)14-9-8-13/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyFDAFYIIXBHLELF-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-3-ethyloctanamide 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

N-(2-aminoethyl)-3-butyloctanamide
CID 88999153
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-butyl-N-[2-(dimethylamino)ethyl]octanamide
CID 88999210
3-(3-ethylheptanoylamino)-2-methylpropanoic acid
CID 119237585
N,N'-bis(2-aminoethyl)-10,11-dioctylicosanediamide
CID 58975602
N,N'-bis(2-aminoethyl)-7,8-didecyltetradecanediamide
CID 89347828
N-(3-aminopropyl)-3-hydroxytetradecanamide
CID 139771508
3-(3-aminopropyl)-N-[3-[4-[3-[3-(3-aminopropyl)tetradecanoylamino]propyl]piperazin-1-yl]propyl]tetradecanamide
CID 177309917
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
N-(2-aminoethyl)nonanamide
CID 13028008
1-amino-6-ethyl-3-methyldecan-4-one
CID 116594762
N-(4-ethylhexyl)hexanamide
CID 155589140

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyloctanamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyloctanamide (CID 88999094) is N-(2-aminoethyl)-3-ethyloctanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyloctanamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyloctanamide is CCCCCC(CC)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-ethyloctanamide?
The InChIKey is FDAFYIIXBHLELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-5-6-7-11(4-2)10-12(15)14-9-8-13/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-3-ethyloctanamide?
N-(2-aminoethyl)-3-ethyloctanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyloctanamide is sourced from PubChem (CID 88999094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).