2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine

C13H29NO2S — CID 135173503

IUPAC2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine
SMILESCC(C)CNCCS(=O)CCCOCC(C)C
InChIInChI=1S/C13H29NO2S/c1-12(2)10-14-6-9-17(15)8-5-7-16-11-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyHGCNIRPQYDRZTE-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.04
Rot. Bonds11

About 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine

2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine (PubChem CID 135173503) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine
PubChem CID135173503
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine
SMILESCC(C)CNCCS(=O)CCCOCC(C)C
InChIInChI=1S/C13H29NO2S/c1-12(2)10-14-6-9-17(15)8-5-7-16-11-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyHGCNIRPQYDRZTE-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine (CID 135173503) is 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine is CC(C)CNCCS(=O)CCCOCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine?
The InChIKey is HGCNIRPQYDRZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-12(2)10-14-6-9-17(15)8-5-7-16-11-13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine?
2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(2-methylpropoxy)propylsulfinyl]ethyl]propan-1-amine is sourced from PubChem (CID 135173503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).