1-(methylaminomethylsulfanyl)propan-1-amine

C5H14N2S — CID 138714875

IUPAC1-(methylaminomethylsulfanyl)propan-1-amine
SMILESCCC(N)SCNC
InChIInChI=1S/C5H14N2S/c1-3-5(6)8-4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyPUAGJELNOJNPBY-UHFFFAOYSA-N
MW134.25 g/mol
LogP0.59
Rot. Bonds4

About 1-(methylaminomethylsulfanyl)propan-1-amine

1-(methylaminomethylsulfanyl)propan-1-amine (PubChem CID 138714875) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is 1-(methylaminomethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name1-(methylaminomethylsulfanyl)propan-1-amine
PubChem CID138714875
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name1-(methylaminomethylsulfanyl)propan-1-amine
SMILESCCC(N)SCNC
InChIInChI=1S/C5H14N2S/c1-3-5(6)8-4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyPUAGJELNOJNPBY-UHFFFAOYSA-N
XLogP0.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethylsulfanyl)propan-1-amine?
The IUPAC name of 1-(methylaminomethylsulfanyl)propan-1-amine (CID 138714875) is 1-(methylaminomethylsulfanyl)propan-1-amine.
What is the SMILES notation for 1-(methylaminomethylsulfanyl)propan-1-amine?
The canonical SMILES for 1-(methylaminomethylsulfanyl)propan-1-amine is CCC(N)SCNC.
What is the InChIKey of 1-(methylaminomethylsulfanyl)propan-1-amine?
The InChIKey is PUAGJELNOJNPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-3-5(6)8-4-7-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-(methylaminomethylsulfanyl)propan-1-amine?
1-(methylaminomethylsulfanyl)propan-1-amine has a molecular weight of 134.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethylsulfanyl)propan-1-amine is sourced from PubChem (CID 138714875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).