N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine

C17H29N3S — CID 106906698

IUPACN-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN2CC(C)SC(C)C2)n1
InChIInChI=1S/C17H29N3S/c1-13(2)8-18-9-16-6-5-7-17(19-16)12-20-10-14(3)21-15(4)11-20/h5-7,13-15,18H,8-12H2,1-4H3
InChIKeySEJBESVNHZIIQV-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.15
Rot. Bonds6

About N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 106906698) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID106906698
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN2CC(C)SC(C)C2)n1
InChIInChI=1S/C17H29N3S/c1-13(2)8-18-9-16-6-5-7-17(19-16)12-20-10-14(3)21-15(4)11-20/h5-7,13-15,18H,8-12H2,1-4H3
InChIKeySEJBESVNHZIIQV-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[6-[(2-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907151
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480
2-methyl-N-[[6-(1,4-thiazepan-4-ylmethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905365
N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906831
2-methyl-N-[[6-(3,4,5-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114539879
N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907228
N-[[6-[(4,5-dimethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907444
N-[[6-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279235
N-[[6-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906337
N-[[6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106907332
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114412629
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62294491

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 106906698) is N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(CN2CC(C)SC(C)C2)n1.
What is the InChIKey of N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is SEJBESVNHZIIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-13(2)8-18-9-16-6-5-7-17(19-16)12-20-10-14(3)21-15(4)11-20/h5-7,13-15,18H,8-12H2,1-4H3.
What are the key properties of N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 307.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106906698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).