1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine

C11H26N2OS — CID 107511523

IUPAC1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CSCCN(C)C
InChIInChI=1S/C11H26N2OS/c1-5-6-12-11(9-14-4)10-15-8-7-13(2)3/h11-12H,5-10H2,1-4H3
InChIKeyXWOSEDTVCJFJEH-UHFFFAOYSA-N
MW234.41 g/mol
LogP1.30
Rot. Bonds10

About 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine

1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine (PubChem CID 107511523) has the molecular formula C11H26N2OS and a molecular weight of 234.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine
PubChem CID107511523
Molecular FormulaC11H26N2OS
Molecular Weight234.41 g/mol
Exact Mass234.18
IUPAC Name1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CSCCN(C)C
InChIInChI=1S/C11H26N2OS/c1-5-6-12-11(9-14-4)10-15-8-7-13(2)3/h11-12H,5-10H2,1-4H3
InChIKeyXWOSEDTVCJFJEH-UHFFFAOYSA-N
XLogP1.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
CID 107772434
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
CID 79574875
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine
CID 107511250
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526
N-propyl-1-propylsulfanylheptan-2-amine
CID 65129217

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine (CID 107511523) is 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)CSCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine?
The InChIKey is XWOSEDTVCJFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2OS/c1-5-6-12-11(9-14-4)10-15-8-7-13(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine?
1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine has a molecular weight of 234.41 g/mol, XLogP of 1.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 107511523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).