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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Related Compounds

2-methyl-N-[[5-methyl-6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629769
5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
CID 107078920
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80638985
[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80631004
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80636278
N-[[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060508
5-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridin-3-amine
CID 94452919
2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114798609
(4aR,8aR)-1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727193
N-[[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630583
2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450919

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).