1-(methylamino)-1-phenylpentan-2-one

C12H17NO — CID 91710915

IUPAC1-(methylamino)-1-phenylpentan-2-one
SMILESCCCC(=O)C(NC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-11(14)12(13-2)10-8-5-4-6-9-10/h4-6,8-9,12-13H,3,7H2,1-2H3
InChIKeyILGRTMNCRBDXBI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds5

About 1-(methylamino)-1-phenylpentan-2-one

1-(methylamino)-1-phenylpentan-2-one (PubChem CID 91710915) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(methylamino)-1-phenylpentan-2-one.

Molecular Properties

Compound Name1-(methylamino)-1-phenylpentan-2-one
PubChem CID91710915
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(methylamino)-1-phenylpentan-2-one
SMILESCCCC(=O)C(NC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-7-11(14)12(13-2)10-8-5-4-6-9-10/h4-6,8-9,12-13H,3,7H2,1-2H3
InChIKeyILGRTMNCRBDXBI-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-phenylpentan-2-one?
The IUPAC name of 1-(methylamino)-1-phenylpentan-2-one (CID 91710915) is 1-(methylamino)-1-phenylpentan-2-one.
What is the SMILES notation for 1-(methylamino)-1-phenylpentan-2-one?
The canonical SMILES for 1-(methylamino)-1-phenylpentan-2-one is CCCC(=O)C(NC)c1ccccc1.
What is the InChIKey of 1-(methylamino)-1-phenylpentan-2-one?
The InChIKey is ILGRTMNCRBDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-7-11(14)12(13-2)10-8-5-4-6-9-10/h4-6,8-9,12-13H,3,7H2,1-2H3.
What are the key properties of 1-(methylamino)-1-phenylpentan-2-one?
1-(methylamino)-1-phenylpentan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-phenylpentan-2-one is sourced from PubChem (CID 91710915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).