2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

C18H31N3 — CID 114596976

IUPAC2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnccc1N1CC(C)CC(C)C1C
InChIInChI=1S/C18H31N3/c1-13(2)9-20-11-17-10-19-7-6-18(17)21-12-14(3)8-15(4)16(21)5/h6-7,10,13-16,20H,8-9,11-12H2,1-5H3
InChIKeyZXKWWSTVBXINSX-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 114596976) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID114596976
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnccc1N1CC(C)CC(C)C1C
InChIInChI=1S/C18H31N3/c1-13(2)9-20-11-17-10-19-7-6-18(17)21-12-14(3)8-15(4)16(21)5/h6-7,10,13-16,20H,8-9,11-12H2,1-5H3
InChIKeyZXKWWSTVBXINSX-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072754
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104960884
2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114596902
2-methyl-N-[[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81249938
N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114594233
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81248433
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739
N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539529
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
2-methyl-N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 114597041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 114596976) is 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cnccc1N1CC(C)CC(C)C1C.
What is the InChIKey of 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is ZXKWWSTVBXINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)9-20-11-17-10-19-7-6-18(17)21-12-14(3)8-15(4)16(21)5/h6-7,10,13-16,20H,8-9,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114596976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).