N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine

C11H19N3S — CID 115767513

IUPACN,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine
SMILESCSCCNCc1ccc(N(C)C)nc1
InChIInChI=1S/C11H19N3S/c1-14(2)11-5-4-10(9-13-11)8-12-6-7-15-3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyAXOOPAQRBYEBLT-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.60
Rot. Bonds6

About N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine

N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine (PubChem CID 115767513) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine
PubChem CID115767513
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine
SMILESCSCCNCc1ccc(N(C)C)nc1
InChIInChI=1S/C11H19N3S/c1-14(2)11-5-4-10(9-13-11)8-12-6-7-15-3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyAXOOPAQRBYEBLT-UHFFFAOYSA-N
XLogP1.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine (CID 115767513) is N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine is CSCCNCc1ccc(N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine?
The InChIKey is AXOOPAQRBYEBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14(2)11-5-4-10(9-13-11)8-12-6-7-15-3/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine?
N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 115767513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).