N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine

C11H18N2OS — CID 28712781

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(CNCCCSC)cn1
InChIInChI=1S/C11H18N2OS/c1-14-11-5-4-10(9-13-11)8-12-6-3-7-15-2/h4-5,9,12H,3,6-8H2,1-2H3
InChIKeyMLHBYDBCIIZFLQ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.93
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 28712781) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID28712781
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(CNCCCSC)cn1
InChIInChI=1S/C11H18N2OS/c1-14-11-5-4-10(9-13-11)8-12-6-3-7-15-2/h4-5,9,12H,3,6-8H2,1-2H3
InChIKeyMLHBYDBCIIZFLQ-UHFFFAOYSA-N
XLogP1.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.93
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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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 114936928
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115683712
3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 146273628
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344354
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine (CID 28712781) is N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine is COc1ccc(CNCCCSC)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is MLHBYDBCIIZFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-14-11-5-4-10(9-13-11)8-12-6-3-7-15-2/h4-5,9,12H,3,6-8H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 28712781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).