2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine

C13H26N2S — CID 103070743

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CC(C)SC(C)C1
InChIInChI=1S/C13H26N2S/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h12-14H,2,5-10H2,1,3-4H3
InChIKeyHCJHNQVZQSXYQA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine (PubChem CID 103070743) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
PubChem CID103070743
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CC(C)SC(C)C1
InChIInChI=1S/C13H26N2S/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h12-14H,2,5-10H2,1,3-4H3
InChIKeyHCJHNQVZQSXYQA-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine (CID 103070743) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)CN1CC(C)SC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
The InChIKey is HCJHNQVZQSXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h12-14H,2,5-10H2,1,3-4H3.
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine has a molecular weight of 242.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103070743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).