N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine

C8H19NOS — CID 61385843

IUPACN-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
SMILESCOCCSCCNC(C)C
InChIInChI=1S/C8H19NOS/c1-8(2)9-4-6-11-7-5-10-3/h8-9H,4-7H2,1-3H3
InChIKeyIZBDGABDCXFTRG-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine

N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine (PubChem CID 61385843) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
PubChem CID61385843
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
SMILESCOCCSCCNC(C)C
InChIInChI=1S/C8H19NOS/c1-8(2)9-4-6-11-7-5-10-3/h8-9H,4-7H2,1-3H3
InChIKeyIZBDGABDCXFTRG-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.36
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-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine (CID 61385843) is N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine is COCCSCCNC(C)C.
What is the InChIKey of N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
The InChIKey is IZBDGABDCXFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(2)9-4-6-11-7-5-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine?
N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine has a molecular weight of 177.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine is sourced from PubChem (CID 61385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).