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

C17H29N3 — CID 81248517

IUPACN-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCCCN1c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C17H29N3/c1-5-16-8-6-7-9-20(16)17-10-14(4)19-12-15(17)11-18-13(2)3/h10,12-13,16,18H,5-9,11H2,1-4H3
InChIKeyDLNZTWALELZGCK-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.66
Rot. Bonds5

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

N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81248517) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81248517
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCCC1CCCCN1c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C17H29N3/c1-5-16-8-6-7-9-20(16)17-10-14(4)19-12-15(17)11-18-13(2)3/h10,12-13,16,18H,5-9,11H2,1-4H3
InChIKeyDLNZTWALELZGCK-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81248858
N-[[4-(2-ethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81249915
[4-(2-ethylazepan-1-yl)-6-methyl-3-pyridinyl]methanol
CID 104691289
N-[[6-methyl-4-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 83061461
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925391
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81254608
N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81249037
5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
CID 102713614
N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81247724

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81248517) is N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is CCC1CCCCN1c1cc(C)ncc1CNC(C)C.
What is the InChIKey of N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is DLNZTWALELZGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-16-8-6-7-9-20(16)17-10-14(4)19-12-15(17)11-18-13(2)3/h10,12-13,16,18H,5-9,11H2,1-4H3.
What are the key properties of N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81248517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).