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

C17H29N3 — CID 80627944

IUPACN-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H29N3/c1-12(2)18-8-16-7-15(5)17(19-9-16)20-10-13(3)6-14(4)11-20/h7,9,12-14,18H,6,8,10-11H2,1-5H3
InChIKeyMPHDNOYEMAVSIS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.37
Rot. Bonds4

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

N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80627944) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80627944
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H29N3/c1-12(2)18-8-16-7-15(5)17(19-9-16)20-10-13(3)6-14(4)11-20/h7,9,12-14,18H,6,8,10-11H2,1-5H3
InChIKeyMPHDNOYEMAVSIS-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 80627944) is N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1N1CC(C)CC(C)C1.
What is the InChIKey of N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is MPHDNOYEMAVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)18-8-16-7-15(5)17(19-9-16)20-10-13(3)6-14(4)11-20/h7,9,12-14,18H,6,8,10-11H2,1-5H3.
What are the key properties of N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80627944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).