N-(2-aminoethyl)hex-5-enamide

C8H16N2O — CID 59441272

IUPACN-(2-aminoethyl)hex-5-enamide
SMILESC=CCCCC(=O)NCCN
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-8(11)10-7-6-9/h2H,1,3-7,9H2,(H,10,11)
InChIKeyZPKUQRRHTSQJNS-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds6

About N-(2-aminoethyl)hex-5-enamide

N-(2-aminoethyl)hex-5-enamide (PubChem CID 59441272) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(2-aminoethyl)hex-5-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)hex-5-enamide
PubChem CID59441272
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(2-aminoethyl)hex-5-enamide
SMILESC=CCCCC(=O)NCCN
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-8(11)10-7-6-9/h2H,1,3-7,9H2,(H,10,11)
InChIKeyZPKUQRRHTSQJNS-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)hex-5-enamide?
The IUPAC name of N-(2-aminoethyl)hex-5-enamide (CID 59441272) is N-(2-aminoethyl)hex-5-enamide.
What is the SMILES notation for N-(2-aminoethyl)hex-5-enamide?
The canonical SMILES for N-(2-aminoethyl)hex-5-enamide is C=CCCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)hex-5-enamide?
The InChIKey is ZPKUQRRHTSQJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-4-5-8(11)10-7-6-9/h2H,1,3-7,9H2,(H,10,11).
What are the key properties of N-(2-aminoethyl)hex-5-enamide?
N-(2-aminoethyl)hex-5-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)hex-5-enamide is sourced from PubChem (CID 59441272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).