2-amino-1-cyclohexylethanone

C8H15NO — CID 20519208

IUPAC2-amino-1-cyclohexylethanone
SMILESNCC(=O)C1CCCCC1
InChIInChI=1S/C8H15NO/c9-6-8(10)7-4-2-1-3-5-7/h7H,1-6,9H2
InChIKeyIGHMPJLCFPTLSY-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-1-cyclohexylethanone

2-amino-1-cyclohexylethanone (PubChem CID 20519208) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-amino-1-cyclohexylethanone.

Molecular Properties

Compound Name2-amino-1-cyclohexylethanone
PubChem CID20519208
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-amino-1-cyclohexylethanone
SMILESNCC(=O)C1CCCCC1
InChIInChI=1S/C8H15NO/c9-6-8(10)7-4-2-1-3-5-7/h7H,1-6,9H2
InChIKeyIGHMPJLCFPTLSY-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
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?
The IUPAC name of 2-amino-1-cyclohexylethanone (CID 20519208) is 2-amino-1-cyclohexylethanone.
What is the SMILES notation for 2-amino-1-cyclohexylethanone?
The canonical SMILES for 2-amino-1-cyclohexylethanone is NCC(=O)C1CCCCC1.
What is the InChIKey of 2-amino-1-cyclohexylethanone?
The InChIKey is IGHMPJLCFPTLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-6-8(10)7-4-2-1-3-5-7/h7H,1-6,9H2.
What are the key properties of 2-amino-1-cyclohexylethanone?
2-amino-1-cyclohexylethanone has a molecular weight of 141.21 g/mol, XLogP of 1.09, 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 is sourced from PubChem (CID 20519208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).