2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine

C11H24N2S — CID 66221864

IUPAC2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCCN1CCCCC1
InChIInChI=1S/C11H24N2S/c1-11(2,12)10-14-9-8-13-6-4-3-5-7-13/h3-10,12H2,1-2H3
InChIKeyVPXNJWAEADIZOO-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine

2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine (PubChem CID 66221864) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine
PubChem CID66221864
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCCN1CCCCC1
InChIInChI=1S/C11H24N2S/c1-11(2,12)10-14-9-8-13-6-4-3-5-7-13/h3-10,12H2,1-2H3
InChIKeyVPXNJWAEADIZOO-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 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 ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine (CID 66221864) is 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine is CC(C)(N)CSCCN1CCCCC1.
What is the InChIKey of 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine?
The InChIKey is VPXNJWAEADIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-11(2,12)10-14-9-8-13-6-4-3-5-7-13/h3-10,12H2,1-2H3.
What are the key properties of 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine?
2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-piperidin-1-ylethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66221864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).