N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H29N3 — CID 62286909

IUPACN-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCC(C)C1C
InChIInChI=1S/C17H29N3/c1-13(2)11-18-12-16-8-5-9-19-17(16)20-10-6-7-14(3)15(20)4/h5,8-9,13-15,18H,6-7,10-12H2,1-4H3
InChIKeyPPGLNCYJSXDPMC-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.45
Rot. Bonds5

About N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62286909) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62286909
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCC(C)C1C
InChIInChI=1S/C17H29N3/c1-13(2)11-18-12-16-8-5-9-19-17(16)20-10-6-7-14(3)15(20)4/h5,8-9,13-15,18H,6-7,10-12H2,1-4H3
InChIKeyPPGLNCYJSXDPMC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62286909) is N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccnc1N1CCCC(C)C1C.
What is the InChIKey of N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PPGLNCYJSXDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)11-18-12-16-8-5-9-19-17(16)20-10-6-7-14(3)15(20)4/h5,8-9,13-15,18H,6-7,10-12H2,1-4H3.
What are the key properties of N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62286909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).