1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine

C17H29N3 — CID 114597453

IUPAC1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1N1CC(C)CC(C)C1C
InChIInChI=1S/C17H29N3/c1-11-6-12(2)15(5)20(10-11)17-13(3)7-16(9-19-17)8-14(4)18/h7,9,11-12,14-15H,6,8,10,18H2,1-5H3
InChIKeyQHLMHGPZEVTLMR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.15
Rot. Bonds3

About 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine

1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine (PubChem CID 114597453) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
PubChem CID114597453
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1N1CC(C)CC(C)C1C
InChIInChI=1S/C17H29N3/c1-11-6-12(2)15(5)20(10-11)17-13(3)7-16(9-19-17)8-14(4)18/h7,9,11-12,14-15H,6,8,10,18H2,1-5H3
InChIKeyQHLMHGPZEVTLMR-UHFFFAOYSA-N
XLogP3.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine
CID 114597432
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80634863
5-(bromomethyl)-2-(2,4-dimethylpyrrolidin-1-yl)-3-methylpyridine
CID 107085319
1-[5-methyl-6-(4-methylpyrazol-1-yl)-3-pyridinyl]propan-2-amine
CID 80634551
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80638539
1-(6-imidazol-1-yl-5-methyl-3-pyridinyl)propan-2-amine
CID 80634622
1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634916
1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80633144
N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 114596915
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114594256
1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634462

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine (CID 114597453) is 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine is Cc1cc(CC(C)N)cnc1N1CC(C)CC(C)C1C.
What is the InChIKey of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine?
The InChIKey is QHLMHGPZEVTLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-11-6-12(2)15(5)20(10-11)17-13(3)7-16(9-19-17)8-14(4)18/h7,9,11-12,14-15H,6,8,10,18H2,1-5H3.
What are the key properties of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine?
1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 114597453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).