N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine

C7H17NOS — CID 62581017

IUPACN-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine
SMILESCOCCNCC(C)SC
InChIInChI=1S/C7H17NOS/c1-7(10-3)6-8-4-5-9-2/h7-8H,4-6H2,1-3H3
InChIKeyAJHWWTMKEHSMNM-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.97
Rot. Bonds6

About N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine

N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine (PubChem CID 62581017) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine
PubChem CID62581017
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC NameN-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine
SMILESCOCCNCC(C)SC
InChIInChI=1S/C7H17NOS/c1-7(10-3)6-8-4-5-9-2/h7-8H,4-6H2,1-3H3
InChIKeyAJHWWTMKEHSMNM-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.97
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine (CID 62581017) is N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine is COCCNCC(C)SC.
What is the InChIKey of N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine?
The InChIKey is AJHWWTMKEHSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(10-3)6-8-4-5-9-2/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine?
N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine has a molecular weight of 163.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 62581017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).