N-(2-aminoethyl)-3-butyloctanamide

C14H30N2O — CID 88999153

IUPACN-(2-aminoethyl)-3-butyloctanamide
SMILESCCCCCC(CCCC)CC(=O)NCCN
InChIInChI=1S/C14H30N2O/c1-3-5-7-9-13(8-6-4-2)12-14(17)16-11-10-15/h13H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyZQXNBUWZMZABKV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.84
Rot. Bonds11

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

N-(2-aminoethyl)-3-butyloctanamide (PubChem CID 88999153) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-butyloctanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-butyloctanamide
PubChem CID88999153
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(2-aminoethyl)-3-butyloctanamide
SMILESCCCCCC(CCCC)CC(=O)NCCN
InChIInChI=1S/C14H30N2O/c1-3-5-7-9-13(8-6-4-2)12-14(17)16-11-10-15/h13H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyZQXNBUWZMZABKV-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-ethyloctanamide
CID 88999094
3-butyl-N-[2-(dimethylamino)ethyl]octanamide
CID 88999210
3-(3-aminopropyl)-N-[3-[4-[3-[3-(3-aminopropyl)tetradecanoylamino]propyl]piperazin-1-yl]propyl]tetradecanamide
CID 177309917
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-butyl-N-propan-2-yloctanamide
CID 90867024
N-(2-aminoethyl)nonanamide
CID 13028008
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(3-ethylheptanoylamino)-2-methylpropanoic acid
CID 119237585
3-(3-aminopropyl)decanoic acid
CID 21259292
N-[1-(2-aminoethylamino)-1-oxohexan-2-yl]-2-(octanoylamino)octanamide
CID 90159636

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-butyloctanamide?
The IUPAC name of N-(2-aminoethyl)-3-butyloctanamide (CID 88999153) is N-(2-aminoethyl)-3-butyloctanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-butyloctanamide?
The canonical SMILES for N-(2-aminoethyl)-3-butyloctanamide is CCCCCC(CCCC)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-butyloctanamide?
The InChIKey is ZQXNBUWZMZABKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-5-7-9-13(8-6-4-2)12-14(17)16-11-10-15/h13H,3-12,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)-3-butyloctanamide?
N-(2-aminoethyl)-3-butyloctanamide has a molecular weight of 242.41 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-butyloctanamide is sourced from PubChem (CID 88999153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).