(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one

C16H19NO — CID 124518898

IUPAC(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
SMILESCCC[C@@H](NC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-3-6-15(17-2)16(18)14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11,15,17H,3,6H2,1-2H3/t15-/m1/s1
InChIKeyDBQUMXBQDKCIAJ-OAHLLOKOSA-N
MW241.33 g/mol
LogP3.41
Rot. Bonds5

About (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one

(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one (PubChem CID 124518898) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
PubChem CID124518898
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
SMILESCCC[C@@H](NC)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-3-6-15(17-2)16(18)14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11,15,17H,3,6H2,1-2H3/t15-/m1/s1
InChIKeyDBQUMXBQDKCIAJ-OAHLLOKOSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one;methane
CID 117065179
1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one;hydrochloride
CID 71750183
2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one
CID 116826843
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
1-(6-bromonaphthalen-2-yl)-2-methylpentan-1-one
CID 107891303
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
CID 116923574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one?
The IUPAC name of (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one (CID 124518898) is (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one.
What is the SMILES notation for (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one?
The canonical SMILES for (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one is CCC[C@@H](NC)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one?
The InChIKey is DBQUMXBQDKCIAJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-6-15(17-2)16(18)14-10-9-12-7-4-5-8-13(12)11-14/h4-5,7-11,15,17H,3,6H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one?
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one is sourced from PubChem (CID 124518898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).