N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine

C16H27N3S — CID 81247380

IUPACN-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CC(C)SC(C)C1
InChIInChI=1S/C16H27N3S/c1-5-6-17-8-15-9-18-12(2)7-16(15)19-10-13(3)20-14(4)11-19/h7,9,13-14,17H,5-6,8,10-11H2,1-4H3
InChIKeyXXBAJYLSNVHDHZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.22
Rot. Bonds5

About N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81247380) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID81247380
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CC(C)SC(C)C1
InChIInChI=1S/C16H27N3S/c1-5-6-17-8-15-9-18-12(2)7-16(15)19-10-13(3)20-14(4)11-19/h7,9,13-14,17H,5-6,8,10-11H2,1-4H3
InChIKeyXXBAJYLSNVHDHZ-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81248493
N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81247735
N-[[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 114851609
N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
CID 81254307
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-3-pyridinyl]methyl]ethanamine
CID 104960865
N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81250058
N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81249357
1-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469249
N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81249710
N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81253096
N-[[6-methyl-4-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502997
[4-(3,4-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 81248079

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine (CID 81247380) is N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1N1CC(C)SC(C)C1.
What is the InChIKey of N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is XXBAJYLSNVHDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-5-6-17-8-15-9-18-12(2)7-16(15)19-10-13(3)20-14(4)11-19/h7,9,13-14,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81247380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).