2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine

C15H30N2S — CID 106429737

IUPAC2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine
SMILESC=CCSCCN1CCC(NCCC)C(C)C1C
InChIInChI=1S/C15H30N2S/c1-5-8-16-15-7-9-17(14(4)13(15)3)10-12-18-11-6-2/h6,13-16H,2,5,7-12H2,1,3-4H3
InChIKeyDZEFRMGNPMCWRY-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.00
Rot. Bonds8

About 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine

2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine (PubChem CID 106429737) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine
PubChem CID106429737
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine
SMILESC=CCSCCN1CCC(NCCC)C(C)C1C
InChIInChI=1S/C15H30N2S/c1-5-8-16-15-7-9-17(14(4)13(15)3)10-12-18-11-6-2/h6,13-16H,2,5,7-12H2,1,3-4H3
InChIKeyDZEFRMGNPMCWRY-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.00
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 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine (CID 106429737) is 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine is C=CCSCCN1CCC(NCCC)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine?
The InChIKey is DZEFRMGNPMCWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-8-16-15-7-9-17(14(4)13(15)3)10-12-18-11-6-2/h6,13-16H,2,5,7-12H2,1,3-4H3.
What are the key properties of 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine?
2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine has a molecular weight of 270.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 106429737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).