2-amino-1-cyclohexylethanone;hydrochloride

C8H16ClNO — CID 22281606

IUPAC2-amino-1-cyclohexylethanone;hydrochloride
SMILESCl.NCC(=O)C1CCCCC1
InChIInChI=1S/C8H15NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h7H,1-6,9H2;1H
InChIKeyAPAQFIMKCGMBQP-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-1-cyclohexylethanone;hydrochloride

2-amino-1-cyclohexylethanone;hydrochloride (PubChem CID 22281606) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-amino-1-cyclohexylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-cyclohexylethanone;hydrochloride
PubChem CID22281606
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-amino-1-cyclohexylethanone;hydrochloride
SMILESCl.NCC(=O)C1CCCCC1
InChIInChI=1S/C8H15NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h7H,1-6,9H2;1H
InChIKeyAPAQFIMKCGMBQP-UHFFFAOYSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexylethanone;hydrochloride?
The IUPAC name of 2-amino-1-cyclohexylethanone;hydrochloride (CID 22281606) is 2-amino-1-cyclohexylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-cyclohexylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-cyclohexylethanone;hydrochloride is Cl.NCC(=O)C1CCCCC1.
What is the InChIKey of 2-amino-1-cyclohexylethanone;hydrochloride?
The InChIKey is APAQFIMKCGMBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h7H,1-6,9H2;1H.
What are the key properties of 2-amino-1-cyclohexylethanone;hydrochloride?
2-amino-1-cyclohexylethanone;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexylethanone;hydrochloride is sourced from PubChem (CID 22281606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).