1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine

C11H24N2S — CID 81344474

IUPAC1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine
SMILESCSCC(C)CNC1CC(C)N(C)C1
InChIInChI=1S/C11H24N2S/c1-9(8-14-4)6-12-11-5-10(2)13(3)7-11/h9-12H,5-8H2,1-4H3
InChIKeyGWKCLWRRRCNHAL-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds5

About 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine

1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine (PubChem CID 81344474) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine
PubChem CID81344474
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine
SMILESCSCC(C)CNC1CC(C)N(C)C1
InChIInChI=1S/C11H24N2S/c1-9(8-14-4)6-12-11-5-10(2)13(3)7-11/h9-12H,5-8H2,1-4H3
InChIKeyGWKCLWRRRCNHAL-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine (CID 81344474) is 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine is CSCC(C)CNC1CC(C)N(C)C1.
What is the InChIKey of 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine?
The InChIKey is GWKCLWRRRCNHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-9(8-14-4)6-12-11-5-10(2)13(3)7-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine?
1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 81344474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).