2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine

C16H27N3S — CID 106907151

IUPAC2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(CN2CCSC(C)C2)n1
InChIInChI=1S/C16H27N3S/c1-13(2)9-17-10-15-5-4-6-16(18-15)12-19-7-8-20-14(3)11-19/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyRLXBNMIFXGQXDC-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.76
Rot. Bonds6

About 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106907151) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106907151
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(CN2CCSC(C)C2)n1
InChIInChI=1S/C16H27N3S/c1-13(2)9-17-10-15-5-4-6-16(18-15)12-19-7-8-20-14(3)11-19/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyRLXBNMIFXGQXDC-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906698
2-methyl-N-[[6-(1,4-thiazepan-4-ylmethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905365
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480
2-methyl-N-[[5-(2-methylthiomorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380888
2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114539879
N-[[6-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906337
N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906831
N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907444
N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907228
N-[[6-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279235
2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62418455
1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106907151) is 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cccc(CN2CCSC(C)C2)n1.
What is the InChIKey of 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is RLXBNMIFXGQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-13(2)9-17-10-15-5-4-6-16(18-15)12-19-7-8-20-14(3)11-19/h4-6,13-14,17H,7-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106907151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).