1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide

C8H16BrNO — CID 90964979

IUPAC1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
SMILESBr.CC(=O)[C@@H]1CCCCC1N
InChIInChI=1S/C8H15NO.BrH/c1-6(10)7-4-2-3-5-8(7)9;/h7-8H,2-5,9H2,1H3;1H/t7-,8?;/m0./s1
InChIKeySFKJEPSPGAGQSZ-JPPWUZRISA-N
MW222.13 g/mol
LogP1.67
Rot. Bonds1

About 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide

1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide (PubChem CID 90964979) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
PubChem CID90964979
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
SMILESBr.CC(=O)[C@@H]1CCCCC1N
InChIInChI=1S/C8H15NO.BrH/c1-6(10)7-4-2-3-5-8(7)9;/h7-8H,2-5,9H2,1H3;1H/t7-,8?;/m0./s1
InChIKeySFKJEPSPGAGQSZ-JPPWUZRISA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide?
The IUPAC name of 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide (CID 90964979) is 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide.
What is the SMILES notation for 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide?
The canonical SMILES for 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide is Br.CC(=O)[C@@H]1CCCCC1N.
What is the InChIKey of 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide?
The InChIKey is SFKJEPSPGAGQSZ-JPPWUZRISA-N. The full InChI is InChI=1S/C8H15NO.BrH/c1-6(10)7-4-2-3-5-8(7)9;/h7-8H,2-5,9H2,1H3;1H/t7-,8?;/m0./s1.
What are the key properties of 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide?
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide has a molecular weight of 222.13 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide is sourced from PubChem (CID 90964979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).