N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

C16H25N3S — CID 80635458

IUPACN-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CC(C)SC(C)C1
InChIInChI=1S/C16H25N3S/c1-11-6-14(7-17-15-4-5-15)8-18-16(11)19-9-12(2)20-13(3)10-19/h6,8,12-13,15,17H,4-5,7,9-10H2,1-3H3
InChIKeyFRNAKEZBJWUHDA-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.97
Rot. Bonds4

About N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80635458) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80635458
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CC(C)SC(C)C1
InChIInChI=1S/C16H25N3S/c1-11-6-14(7-17-15-4-5-15)8-18-16(11)19-9-12(2)20-13(3)10-19/h6,8,12-13,15,17H,4-5,7,9-10H2,1-3H3
InChIKeyFRNAKEZBJWUHDA-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635386
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636296
N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80630739
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 80635691
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile
CID 80635421
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670475
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
CID 80635344
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 80635458) is N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cnc1N1CC(C)SC(C)C1.
What is the InChIKey of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is FRNAKEZBJWUHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-11-6-14(7-17-15-4-5-15)8-18-16(11)19-9-12(2)20-13(3)10-19/h6,8,12-13,15,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 291.46 g/mol, XLogP of 2.97, 4 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)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80635458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).