N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine

C12H20N2S — CID 102925512

IUPACN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
SMILESCCCNCCSc1cc(C)cc(C)n1
InChIInChI=1S/C12H20N2S/c1-4-5-13-6-7-15-12-9-10(2)8-11(3)14-12/h8-9,13H,4-7H2,1-3H3
InChIKeyXAPZWHAVOLYDMA-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine

N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine (PubChem CID 102925512) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
PubChem CID102925512
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
SMILESCCCNCCSc1cc(C)cc(C)n1
InChIInChI=1S/C12H20N2S/c1-4-5-13-6-7-15-12-9-10(2)8-11(3)14-12/h8-9,13H,4-7H2,1-3H3
InChIKeyXAPZWHAVOLYDMA-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.79
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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Related Compounds

N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine
CID 102925949
N-benzyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925922
N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925969
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
CID 102926475
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
methyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)butanoate
CID 102925808
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
CID 102926020
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine
CID 102925905
4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 102925840
ethyl 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)propanoate
CID 102925707
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine (CID 102925512) is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine is CCCNCCSc1cc(C)cc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine?
The InChIKey is XAPZWHAVOLYDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-5-13-6-7-15-12-9-10(2)8-11(3)14-12/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine?
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine is sourced from PubChem (CID 102925512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).