2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine

C10H20N2S — CID 19694995

IUPAC2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine
SMILESCSC1CNCC1/N=C/C(C)(C)C
InChIInChI=1S/C10H20N2S/c1-10(2,3)7-12-8-5-11-6-9(8)13-4/h7-9,11H,5-6H2,1-4H3/b12-7+
InChIKeyJKWGELVZDWMEIV-KPKJPENVSA-N
MW200.35 g/mol
LogP1.81
Rot. Bonds2

About 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine

2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine (PubChem CID 19694995) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine
PubChem CID19694995
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine
SMILESCSC1CNCC1/N=C/C(C)(C)C
InChIInChI=1S/C10H20N2S/c1-10(2,3)7-12-8-5-11-6-9(8)13-4/h7-9,11H,5-6H2,1-4H3/b12-7+
InChIKeyJKWGELVZDWMEIV-KPKJPENVSA-N
XLogP1.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine?
The IUPAC name of 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine (CID 19694995) is 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine is CSC1CNCC1/N=C/C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine?
The InChIKey is JKWGELVZDWMEIV-KPKJPENVSA-N. The full InChI is InChI=1S/C10H20N2S/c1-10(2,3)7-12-8-5-11-6-9(8)13-4/h7-9,11H,5-6H2,1-4H3/b12-7+.
What are the key properties of 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine?
2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine has a molecular weight of 200.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine is sourced from PubChem (CID 19694995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).