3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine

C6H16N2S — CID 106318312

IUPAC3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine
SMILESCNCCCSCCN
InChIInChI=1S/C6H16N2S/c1-8-4-2-5-9-6-3-7/h8H,2-7H2,1H3
InChIKeyWFIAZKLDHPRZCF-UHFFFAOYSA-N
MW148.28 g/mol
LogP0.29
Rot. Bonds6

About 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine

3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine (PubChem CID 106318312) has the molecular formula C6H16N2S and a molecular weight of 148.28 g/mol. Its IUPAC name is 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine
PubChem CID106318312
Molecular FormulaC6H16N2S
Molecular Weight148.28 g/mol
Exact Mass148.10
IUPAC Name3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine
SMILESCNCCCSCCN
InChIInChI=1S/C6H16N2S/c1-8-4-2-5-9-6-3-7/h8H,2-7H2,1H3
InChIKeyWFIAZKLDHPRZCF-UHFFFAOYSA-N
XLogP0.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.29
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

3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545
N-methyl-4-pentylsulfanylbutan-1-amine
CID 107757081
1-[3-(methylamino)propylsulfanyl]propan-2-amine
CID 106318358
2-butylsulfanylethanamine;ethane
CID 145193609
3-[3-(methylamino)propylsulfanyl]butan-1-amine
CID 106318364
2-undecylsulfanylethanamine
CID 57215239
2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
CID 175755991
2-(3-silylpropylsulfanyl)ethanamine
CID 174099991
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748
2-(3-ethoxypropylsulfanyl)ethanamine
CID 65175244
N'-(2-butylsulfanylethyl)ethane-1,2-diamine
CID 11275341
methyl 11-(2-aminoethylsulfanyl)undecanoate
CID 102429675

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine (CID 106318312) is 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine is CNCCCSCCN.
What is the InChIKey of 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine?
The InChIKey is WFIAZKLDHPRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S/c1-8-4-2-5-9-6-3-7/h8H,2-7H2,1H3.
What are the key properties of 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine?
3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine has a molecular weight of 148.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine is sourced from PubChem (CID 106318312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).