1-cyclohexyl-2-(methylamino)pentan-3-one

C12H23NO — CID 20607816

IUPAC1-cyclohexyl-2-(methylamino)pentan-3-one
SMILESCCC(=O)C(CC1CCCCC1)NC
InChIInChI=1S/C12H23NO/c1-3-12(14)11(13-2)9-10-7-5-4-6-8-10/h10-11,13H,3-9H2,1-2H3
InChIKeyXKQIHECNYPTBPF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds5

About 1-cyclohexyl-2-(methylamino)pentan-3-one

1-cyclohexyl-2-(methylamino)pentan-3-one (PubChem CID 20607816) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-(methylamino)pentan-3-one.

Molecular Properties

Compound Name1-cyclohexyl-2-(methylamino)pentan-3-one
PubChem CID20607816
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclohexyl-2-(methylamino)pentan-3-one
SMILESCCC(=O)C(CC1CCCCC1)NC
InChIInChI=1S/C12H23NO/c1-3-12(14)11(13-2)9-10-7-5-4-6-8-10/h10-11,13H,3-9H2,1-2H3
InChIKeyXKQIHECNYPTBPF-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(methylamino)pentan-3-one?
The IUPAC name of 1-cyclohexyl-2-(methylamino)pentan-3-one (CID 20607816) is 1-cyclohexyl-2-(methylamino)pentan-3-one.
What is the SMILES notation for 1-cyclohexyl-2-(methylamino)pentan-3-one?
The canonical SMILES for 1-cyclohexyl-2-(methylamino)pentan-3-one is CCC(=O)C(CC1CCCCC1)NC.
What is the InChIKey of 1-cyclohexyl-2-(methylamino)pentan-3-one?
The InChIKey is XKQIHECNYPTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(14)11(13-2)9-10-7-5-4-6-8-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(methylamino)pentan-3-one?
1-cyclohexyl-2-(methylamino)pentan-3-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(methylamino)pentan-3-one is sourced from PubChem (CID 20607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).