1-amino-1-cyclohexylpropan-2-one

C9H17NO — CID 18726547

IUPAC1-amino-1-cyclohexylpropan-2-one
SMILESCC(=O)C(N)C1CCCCC1
InChIInChI=1S/C9H17NO/c1-7(11)9(10)8-5-3-2-4-6-8/h8-9H,2-6,10H2,1H3
InChIKeySJZRSJARUWSESY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds2

About 1-amino-1-cyclohexylpropan-2-one

1-amino-1-cyclohexylpropan-2-one (PubChem CID 18726547) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-amino-1-cyclohexylpropan-2-one.

Molecular Properties

Compound Name1-amino-1-cyclohexylpropan-2-one
PubChem CID18726547
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-amino-1-cyclohexylpropan-2-one
SMILESCC(=O)C(N)C1CCCCC1
InChIInChI=1S/C9H17NO/c1-7(11)9(10)8-5-3-2-4-6-8/h8-9H,2-6,10H2,1H3
InChIKeySJZRSJARUWSESY-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclohexylpropan-2-one?
The IUPAC name of 1-amino-1-cyclohexylpropan-2-one (CID 18726547) is 1-amino-1-cyclohexylpropan-2-one.
What is the SMILES notation for 1-amino-1-cyclohexylpropan-2-one?
The canonical SMILES for 1-amino-1-cyclohexylpropan-2-one is CC(=O)C(N)C1CCCCC1.
What is the InChIKey of 1-amino-1-cyclohexylpropan-2-one?
The InChIKey is SJZRSJARUWSESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(11)9(10)8-5-3-2-4-6-8/h8-9H,2-6,10H2,1H3.
What are the key properties of 1-amino-1-cyclohexylpropan-2-one?
1-amino-1-cyclohexylpropan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclohexylpropan-2-one is sourced from PubChem (CID 18726547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).