2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine

C33H41NO2S2 — CID 162023104

IUPAC2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)CCC(COc1cccc2ccccc12)SSC(CNC(C)C)COc1cccc2ccccc12
InChIInChI=1S/C33H41NO2S2/c1-24(2)19-20-28(22-35-32-17-9-13-26-11-5-7-15-30(26)32)37-38-29(21-34-25(3)4)23-36-33-18-10-14-27-12-6-8-16-31(27)33/h5-18,24-25,28-29,34H,19-23H2,1-4H3
InChIKeyYUZVBIWLDYXGJA-UHFFFAOYSA-N
MW547.83 g/mol
LogP9.00
Rot. Bonds15

About 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine

2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine (PubChem CID 162023104) has the molecular formula C33H41NO2S2 and a molecular weight of 547.83 g/mol. Its IUPAC name is 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
PubChem CID162023104
Molecular FormulaC33H41NO2S2
Molecular Weight547.83 g/mol
Exact Mass547.26
IUPAC Name2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)CCC(COc1cccc2ccccc12)SSC(CNC(C)C)COc1cccc2ccccc12
InChIInChI=1S/C33H41NO2S2/c1-24(2)19-20-28(22-35-32-17-9-13-26-11-5-7-15-30(26)32)37-38-29(21-34-25(3)4)23-36-33-18-10-14-27-12-6-8-16-31(27)33/h5-18,24-25,28-29,34H,19-23H2,1-4H3
InChIKeyYUZVBIWLDYXGJA-UHFFFAOYSA-N
XLogP9.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.83
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine (CID 162023104) is 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine is CC(C)CCC(COc1cccc2ccccc12)SSC(CNC(C)C)COc1cccc2ccccc12.
What is the InChIKey of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
The InChIKey is YUZVBIWLDYXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41NO2S2/c1-24(2)19-20-28(22-35-32-17-9-13-26-11-5-7-15-30(26)32)37-38-29(21-34-25(3)4)23-36-33-18-10-14-27-12-6-8-16-31(27)33/h5-18,24-25,28-29,34H,19-23H2,1-4H3.
What are the key properties of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine has a molecular weight of 547.83 g/mol, XLogP of 9.00, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 162023104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).