(1-acetamidocyclohexyl)azanium chloride

C8H17ClN2O — CID 11041618

IUPAC(1-acetamidocyclohexyl)azanium chloride
SMILESCC(=O)NC1([NH3+])CCCCC1.[Cl-]
InChIInChI=1S/C8H16N2O.ClH/c1-7(11)10-8(9)5-3-2-4-6-8;/h2-6,9H2,1H3,(H,10,11);1H
InChIKeyLQJRWSKWFZEERI-UHFFFAOYSA-N
MW192.69 g/mol
LogP-2.97
Rot. Bonds1

About (1-acetamidocyclohexyl)azanium chloride

(1-acetamidocyclohexyl)azanium chloride (PubChem CID 11041618) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is (1-acetamidocyclohexyl)azanium chloride.

Molecular Properties

Compound Name(1-acetamidocyclohexyl)azanium chloride
PubChem CID11041618
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name(1-acetamidocyclohexyl)azanium chloride
SMILESCC(=O)NC1([NH3+])CCCCC1.[Cl-]
InChIInChI=1S/C8H16N2O.ClH/c1-7(11)10-8(9)5-3-2-4-6-8;/h2-6,9H2,1H3,(H,10,11);1H
InChIKeyLQJRWSKWFZEERI-UHFFFAOYSA-N
XLogP-2.97
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 5-2.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-acetamidocyclohexyl)azanium chloride?
The IUPAC name of (1-acetamidocyclohexyl)azanium chloride (CID 11041618) is (1-acetamidocyclohexyl)azanium chloride.
What is the SMILES notation for (1-acetamidocyclohexyl)azanium chloride?
The canonical SMILES for (1-acetamidocyclohexyl)azanium chloride is CC(=O)NC1([NH3+])CCCCC1.[Cl-].
What is the InChIKey of (1-acetamidocyclohexyl)azanium chloride?
The InChIKey is LQJRWSKWFZEERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-7(11)10-8(9)5-3-2-4-6-8;/h2-6,9H2,1H3,(H,10,11);1H.
What are the key properties of (1-acetamidocyclohexyl)azanium chloride?
(1-acetamidocyclohexyl)azanium chloride has a molecular weight of 192.69 g/mol, XLogP of -2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetamidocyclohexyl)azanium chloride is sourced from PubChem (CID 11041618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).