2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C17H29N3 — CID 80629274

IUPAC2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCCCC1C
InChIInChI=1S/C17H29N3/c1-13-10-15(12-19-17(3,4)5)11-18-16(13)20-9-7-6-8-14(20)2/h10-11,14,19H,6-9,12H2,1-5H3
InChIKeyBTRQUNBKWHJERE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.66
Rot. Bonds3

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

2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80629274) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID80629274
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCCCC1C
InChIInChI=1S/C17H29N3/c1-13-10-15(12-19-17(3,4)5)11-18-16(13)20-9-7-6-8-14(20)2/h10-11,14,19H,6-9,12H2,1-5H3
InChIKeyBTRQUNBKWHJERE-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 80629274) is 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)cnc1N1CCCCC1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BTRQUNBKWHJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-10-15(12-19-17(3,4)5)11-18-16(13)20-9-7-6-8-14(20)2/h10-11,14,19H,6-9,12H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80629274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).