2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine

C9H21NOS — CID 106452503

IUPAC2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCNCC(C)SC
InChIInChI=1S/C9H21NOS/c1-4-6-11-7-5-10-8-9(2)12-3/h9-10H,4-8H2,1-3H3
InChIKeyLLTBGOGNARVENN-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.75
Rot. Bonds8

About 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine

2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine (PubChem CID 106452503) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine
PubChem CID106452503
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCNCC(C)SC
InChIInChI=1S/C9H21NOS/c1-4-6-11-7-5-10-8-9(2)12-3/h9-10H,4-8H2,1-3H3
InChIKeyLLTBGOGNARVENN-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.75
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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Related Compounds

2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine
CID 170065309
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
CID 11806174
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine (CID 106452503) is 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine is CCCOCCNCC(C)SC.
What is the InChIKey of 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine?
The InChIKey is LLTBGOGNARVENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-4-6-11-7-5-10-8-9(2)12-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine?
2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine has a molecular weight of 191.34 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine is sourced from PubChem (CID 106452503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).