1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine

C30H36N2S — CID 67282233

IUPAC1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1cc(Sc2cc(C(CC)N(C)C)cc3ccccc23)c2ccccc2c1)N(C)C
InChIInChI=1S/C30H36N2S/c1-7-27(31(3)4)23-17-21-13-9-11-15-25(21)29(19-23)33-30-20-24(28(8-2)32(5)6)18-22-14-10-12-16-26(22)30/h9-20,27-28H,7-8H2,1-6H3
InChIKeyHUEDWIQPXHCGGN-UHFFFAOYSA-N
MW456.70 g/mol
LogP8.17
Rot. Bonds8

About 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine

1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 67282233) has the molecular formula C30H36N2S and a molecular weight of 456.70 g/mol. Its IUPAC name is 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID67282233
Molecular FormulaC30H36N2S
Molecular Weight456.70 g/mol
Exact Mass456.26
IUPAC Name1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1cc(Sc2cc(C(CC)N(C)C)cc3ccccc23)c2ccccc2c1)N(C)C
InChIInChI=1S/C30H36N2S/c1-7-27(31(3)4)23-17-21-13-9-11-15-25(21)29(19-23)33-30-20-24(28(8-2)32(5)6)18-22-14-10-12-16-26(22)30/h9-20,27-28H,7-8H2,1-6H3
InChIKeyHUEDWIQPXHCGGN-UHFFFAOYSA-N
XLogP8.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine (CID 67282233) is 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine is CCC(c1cc(Sc2cc(C(CC)N(C)C)cc3ccccc23)c2ccccc2c1)N(C)C.
What is the InChIKey of 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is HUEDWIQPXHCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2S/c1-7-27(31(3)4)23-17-21-13-9-11-15-25(21)29(19-23)33-30-20-24(28(8-2)32(5)6)18-22-14-10-12-16-26(22)30/h9-20,27-28H,7-8H2,1-6H3.
What are the key properties of 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine?
1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 456.70 g/mol, XLogP of 8.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-(dimethylamino)propyl]naphthalen-1-yl]sulfanylnaphthalen-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 67282233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).