2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C11H24N2S — CID 107911941

IUPAC2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCSC(C)(C)CNCCN1CCCC1
InChIInChI=1S/C11H24N2S/c1-11(2,14-3)10-12-6-9-13-7-4-5-8-13/h12H,4-10H2,1-3H3
InChIKeyPKUZLWJRVXIITE-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds6

About 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 107911941) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID107911941
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCSC(C)(C)CNCCN1CCCC1
InChIInChI=1S/C11H24N2S/c1-11(2,14-3)10-12-6-9-13-7-4-5-8-13/h12H,4-10H2,1-3H3
InChIKeyPKUZLWJRVXIITE-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.81
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

2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103605340
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 103019916
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-piperidin-1-ylethyl)guanidine
CID 111610770
3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 28654137
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111611597
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 81414259
2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 104760546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 107911941) is 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CSC(C)(C)CNCCN1CCCC1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is PKUZLWJRVXIITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-11(2,14-3)10-12-6-9-13-7-4-5-8-13/h12H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 107911941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).