2-(hex-5-enoylamino)ethylazanium

C8H17N2O+ — CID 59441271

IUPAC2-(hex-5-enoylamino)ethylazanium
SMILESC=CCCCC(=O)NCC[NH3+]
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-8(11)10-7-6-9/h2H,1,3-7,9H2,(H,10,11)/p+1
InChIKeyZPKUQRRHTSQJNS-UHFFFAOYSA-O
MW157.24 g/mol
LogP-0.30
Rot. Bonds6

About 2-(hex-5-enoylamino)ethylazanium

2-(hex-5-enoylamino)ethylazanium (PubChem CID 59441271) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(hex-5-enoylamino)ethylazanium.

Molecular Properties

Compound Name2-(hex-5-enoylamino)ethylazanium
PubChem CID59441271
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Name2-(hex-5-enoylamino)ethylazanium
SMILESC=CCCCC(=O)NCC[NH3+]
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-8(11)10-7-6-9/h2H,1,3-7,9H2,(H,10,11)/p+1
InChIKeyZPKUQRRHTSQJNS-UHFFFAOYSA-O
XLogP-0.30
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-(hex-5-enoylamino)ethylazanium?
The IUPAC name of 2-(hex-5-enoylamino)ethylazanium (CID 59441271) is 2-(hex-5-enoylamino)ethylazanium.
What is the SMILES notation for 2-(hex-5-enoylamino)ethylazanium?
The canonical SMILES for 2-(hex-5-enoylamino)ethylazanium is C=CCCCC(=O)NCC[NH3+].
What is the InChIKey of 2-(hex-5-enoylamino)ethylazanium?
The InChIKey is ZPKUQRRHTSQJNS-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-(hex-5-enoylamino)ethylazanium?
2-(hex-5-enoylamino)ethylazanium has a molecular weight of 157.24 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-enoylamino)ethylazanium is sourced from PubChem (CID 59441271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).