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

C18H31N3 — CID 114597432

IUPAC1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(N2CC(C)CC(C)C2C)c(C)c1
InChIInChI=1S/C18H31N3/c1-6-17(19)9-16-8-14(4)18(20-10-16)21-11-12(2)7-13(3)15(21)5/h8,10,12-13,15,17H,6-7,9,11,19H2,1-5H3
InChIKeyDEKVZTNDSSIDMO-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.54
Rot. Bonds4

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

1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine (PubChem CID 114597432) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine
PubChem CID114597432
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(N2CC(C)CC(C)C2C)c(C)c1
InChIInChI=1S/C18H31N3/c1-6-17(19)9-16-8-14(4)18(20-10-16)21-11-12(2)7-13(3)15(21)5/h8,10,12-13,15,17H,6-7,9,11,19H2,1-5H3
InChIKeyDEKVZTNDSSIDMO-UHFFFAOYSA-N
XLogP3.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.54
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]propan-2-amine
CID 114597453
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
CID 80634790
1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634855
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 80634867
1-[2-(2-methylcyclopropyl)pyrimidin-5-yl]butan-2-amine
CID 65420227
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634124
5-(bromomethyl)-2-(2,4-dimethylpyrrolidin-1-yl)-3-methylpyridine
CID 107085319
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
1-[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]butan-2-amine
CID 80635191
N-[[5-chloro-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 114596915
4-ethoxy-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-5-amine
CID 114591978
5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80637344

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine (CID 114597432) is 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnc(N2CC(C)CC(C)C2C)c(C)c1.
What is the InChIKey of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine?
The InChIKey is DEKVZTNDSSIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-17(19)9-16-8-14(4)18(20-10-16)21-11-12(2)7-13(3)15(21)5/h8,10,12-13,15,17H,6-7,9,11,19H2,1-5H3.
What are the key properties of 1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine?
1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.54, 4 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]butan-2-amine is sourced from PubChem (CID 114597432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).