3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine

C9H19NOS — CID 64905936

IUPAC3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine
SMILESCOCCSC1CCC(N)C1C
InChIInChI=1S/C9H19NOS/c1-7-8(10)3-4-9(7)12-6-5-11-2/h7-9H,3-6,10H2,1-2H3
InChIKeyWSCCKZJIGSVTFG-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.49
Rot. Bonds4

About 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine

3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine (PubChem CID 64905936) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine
PubChem CID64905936
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine
SMILESCOCCSC1CCC(N)C1C
InChIInChI=1S/C9H19NOS/c1-7-8(10)3-4-9(7)12-6-5-11-2/h7-9H,3-6,10H2,1-2H3
InChIKeyWSCCKZJIGSVTFG-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.49
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 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine (CID 64905936) is 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine is COCCSC1CCC(N)C1C.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine?
The InChIKey is WSCCKZJIGSVTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7-8(10)3-4-9(7)12-6-5-11-2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine?
3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64905936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).