2-(1-hydroxyethyl)hexylideneazanium

C8H18NO+ — CID 57225902

IUPAC2-(1-hydroxyethyl)hexylideneazanium
SMILESCCCCC(C=[NH2+])C(C)O
InChIInChI=1S/C8H17NO/c1-3-4-5-8(6-9)7(2)10/h6-10H,3-5H2,1-2H3/p+1
InChIKeyZNHFGUTZPYZRFM-UHFFFAOYSA-O
MW144.24 g/mol
LogP0.00
Rot. Bonds5

About 2-(1-hydroxyethyl)hexylideneazanium

2-(1-hydroxyethyl)hexylideneazanium (PubChem CID 57225902) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)hexylideneazanium.

Molecular Properties

Compound Name2-(1-hydroxyethyl)hexylideneazanium
PubChem CID57225902
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name2-(1-hydroxyethyl)hexylideneazanium
SMILESCCCCC(C=[NH2+])C(C)O
InChIInChI=1S/C8H17NO/c1-3-4-5-8(6-9)7(2)10/h6-10H,3-5H2,1-2H3/p+1
InChIKeyZNHFGUTZPYZRFM-UHFFFAOYSA-O
XLogP0.00
TPSA45.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)hexylideneazanium?
The IUPAC name of 2-(1-hydroxyethyl)hexylideneazanium (CID 57225902) is 2-(1-hydroxyethyl)hexylideneazanium.
What is the SMILES notation for 2-(1-hydroxyethyl)hexylideneazanium?
The canonical SMILES for 2-(1-hydroxyethyl)hexylideneazanium is CCCCC(C=[NH2+])C(C)O.
What is the InChIKey of 2-(1-hydroxyethyl)hexylideneazanium?
The InChIKey is ZNHFGUTZPYZRFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-8(6-9)7(2)10/h6-10H,3-5H2,1-2H3/p+1.
What are the key properties of 2-(1-hydroxyethyl)hexylideneazanium?
2-(1-hydroxyethyl)hexylideneazanium has a molecular weight of 144.24 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)hexylideneazanium is sourced from PubChem (CID 57225902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).