3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one

C16H23NO — CID 116586776

IUPAC3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
SMILESCNCC(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C16H23NO/c1-12(11-17-2)16(18)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,12,14,17H,5,7-8,10-11H2,1-2H3
InChIKeyRHNMETOAQXYEFX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.92
Rot. Bonds5

About 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one

3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one (PubChem CID 116586776) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
PubChem CID116586776
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
SMILESCNCC(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C16H23NO/c1-12(11-17-2)16(18)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,12,14,17H,5,7-8,10-11H2,1-2H3
InChIKeyRHNMETOAQXYEFX-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 116574150
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 64540894
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
CID 116708142
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
2-methyl-1-(2-methylpropylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 66037048

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The IUPAC name of 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one (CID 116586776) is 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one.
What is the SMILES notation for 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The canonical SMILES for 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one is CNCC(C)C(=O)CC1CCCc2ccccc21.
What is the InChIKey of 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The InChIKey is RHNMETOAQXYEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(11-17-2)16(18)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,12,14,17H,5,7-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one has a molecular weight of 245.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one is sourced from PubChem (CID 116586776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).