N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine

C17H29N3 — CID 81247735

IUPACN-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CC(C)CCC1C
InChIInChI=1S/C17H29N3/c1-5-8-18-10-16-11-19-14(3)9-17(16)20-12-13(2)6-7-15(20)4/h9,11,13,15,18H,5-8,10,12H2,1-4H3
InChIKeyIBUYHBPBUOGGIX-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.51
Rot. Bonds5

About N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81247735) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID81247735
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CC(C)CCC1C
InChIInChI=1S/C17H29N3/c1-5-8-18-10-16-11-19-14(3)9-17(16)20-12-13(2)6-7-15(20)4/h9,11,13,15,18H,5-8,10,12H2,1-4H3
InChIKeyIBUYHBPBUOGGIX-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine (CID 81247735) is N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1N1CC(C)CCC1C.
What is the InChIKey of N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is IBUYHBPBUOGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-8-18-10-16-11-19-14(3)9-17(16)20-12-13(2)6-7-15(20)4/h9,11,13,15,18H,5-8,10,12H2,1-4H3.
What are the key properties of N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81247735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).