1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one

C18H23NO — CID 66779326

IUPAC1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one
SMILESCCCc1c(N(C)C)ccc2cc(C(=O)CC)ccc12
InChIInChI=1S/C18H23NO/c1-5-7-16-15-10-8-14(18(20)6-2)12-13(15)9-11-17(16)19(3)4/h8-12H,5-7H2,1-4H3
InChIKeyCQTUXUBEPNMOAI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.45
Rot. Bonds5

About 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one

1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one (PubChem CID 66779326) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one
PubChem CID66779326
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one
SMILESCCCc1c(N(C)C)ccc2cc(C(=O)CC)ccc12
InChIInChI=1S/C18H23NO/c1-5-7-16-15-10-8-14(18(20)6-2)12-13(15)9-11-17(16)19(3)4/h8-12H,5-7H2,1-4H3
InChIKeyCQTUXUBEPNMOAI-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone
CID 125472648
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one
CID 71751796
1-hexylnaphthalene-2,6-dicarboxamide
CID 141060684
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-[4-(dimethylamino)-3-methylphenyl]-2-propylsulfanylethanone
CID 82054341
4-propanoylphthalaldehyde
CID 118847024
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
6-methyl-5-propylnaphthalen-2-ol
CID 144690902
1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one?
The IUPAC name of 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one (CID 66779326) is 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one.
What is the SMILES notation for 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one?
The canonical SMILES for 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one is CCCc1c(N(C)C)ccc2cc(C(=O)CC)ccc12.
What is the InChIKey of 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one?
The InChIKey is CQTUXUBEPNMOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-7-16-15-10-8-14(18(20)6-2)12-13(15)9-11-17(16)19(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one?
1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one has a molecular weight of 269.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one is sourced from PubChem (CID 66779326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).