2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine

C17H29N3 — CID 80635001

IUPAC2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3/c1-13-11-14(5-8-18)12-19-16(13)20-9-6-15(7-10-20)17(2,3)4/h11-12,15H,5-10,18H2,1-4H3
InChIKeyMXKFNJMUSKCOAE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.15
Rot. Bonds3

About 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine

2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80635001) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine
PubChem CID80635001
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3/c1-13-11-14(5-8-18)12-19-16(13)20-9-6-15(7-10-20)17(2,3)4/h11-12,15H,5-10,18H2,1-4H3
InChIKeyMXKFNJMUSKCOAE-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

Analyze 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine with MolForge

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Related Compounds

[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628617
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridin-3-amine
CID 62475559
2-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634126
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631324
2-[5-methyl-6-(4-propylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80633427
2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80637179
2-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634396
[6-(4-ethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80630113
[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol
CID 62091450
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
5-(2-aminoethyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633656

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine (CID 80635001) is 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is MXKFNJMUSKCOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-11-14(5-8-18)12-19-16(13)20-9-6-15(7-10-20)17(2,3)4/h11-12,15H,5-10,18H2,1-4H3.
What are the key properties of 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine 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 2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80635001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).