1-[3-(methylamino)propylsulfanyl]propan-2-amine

C7H18N2S — CID 106318358

IUPAC1-[3-(methylamino)propylsulfanyl]propan-2-amine
SMILESCNCCCSCC(C)N
InChIInChI=1S/C7H18N2S/c1-7(8)6-10-5-3-4-9-2/h7,9H,3-6,8H2,1-2H3
InChIKeyGGUNQYUHVDCHOP-UHFFFAOYSA-N
MW162.30 g/mol
LogP0.68
Rot. Bonds6

About 1-[3-(methylamino)propylsulfanyl]propan-2-amine

1-[3-(methylamino)propylsulfanyl]propan-2-amine (PubChem CID 106318358) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-[3-(methylamino)propylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(methylamino)propylsulfanyl]propan-2-amine
PubChem CID106318358
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC Name1-[3-(methylamino)propylsulfanyl]propan-2-amine
SMILESCNCCCSCC(C)N
InChIInChI=1S/C7H18N2S/c1-7(8)6-10-5-3-4-9-2/h7,9H,3-6,8H2,1-2H3
InChIKeyGGUNQYUHVDCHOP-UHFFFAOYSA-N
XLogP0.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentylsulfanyl)propan-2-amine
CID 83158887
4-(2-aminopropylsulfanyl)butan-1-ol
CID 66217716
3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine
CID 106318312
3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545
1-[3-(3,4-dimethylphenoxy)propylsulfanyl]propan-2-amine
CID 66218981
1-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propan-2-amine
CID 113427112
(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
3-[3-(methylamino)propylsulfanyl]butan-1-amine
CID 106318364
1-N-[3-(11-methyldodecylsulfanyl)propyl]propane-1,2-diamine
CID 21488148
6-(2-aminopropylsulfanyl)-2,2-dimethylhexanenitrile
CID 106712545
1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine
CID 116616183
N-methyl-4-pentylsulfanylbutan-1-amine
CID 107757081

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propylsulfanyl]propan-2-amine?
The IUPAC name of 1-[3-(methylamino)propylsulfanyl]propan-2-amine (CID 106318358) is 1-[3-(methylamino)propylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[3-(methylamino)propylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[3-(methylamino)propylsulfanyl]propan-2-amine is CNCCCSCC(C)N.
What is the InChIKey of 1-[3-(methylamino)propylsulfanyl]propan-2-amine?
The InChIKey is GGUNQYUHVDCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-7(8)6-10-5-3-4-9-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-[3-(methylamino)propylsulfanyl]propan-2-amine?
1-[3-(methylamino)propylsulfanyl]propan-2-amine has a molecular weight of 162.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propylsulfanyl]propan-2-amine is sourced from PubChem (CID 106318358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).