1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine

C16H28N4 — CID 80634466

IUPAC1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(CC(C)N)cnc1N1CCCC(N(C)C)C1
InChIInChI=1S/C16H28N4/c1-12-8-14(9-13(2)17)10-18-16(12)20-7-5-6-15(11-20)19(3)4/h8,10,13,15H,5-7,9,11,17H2,1-4H3
InChIKeyHLVGAELMUIYTOY-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.81
Rot. Bonds4

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

1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 80634466) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
PubChem CID80634466
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(CC(C)N)cnc1N1CCCC(N(C)C)C1
InChIInChI=1S/C16H28N4/c1-12-8-14(9-13(2)17)10-18-16(12)20-7-5-6-15(11-20)19(3)4/h8,10,13,15H,5-7,9,11,17H2,1-4H3
InChIKeyHLVGAELMUIYTOY-UHFFFAOYSA-N
XLogP1.81
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine (CID 80634466) is 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine is Cc1cc(CC(C)N)cnc1N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is HLVGAELMUIYTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12-8-14(9-13(2)17)10-18-16(12)20-7-5-6-15(11-20)19(3)4/h8,10,13,15H,5-7,9,11,17H2,1-4H3.
What are the key properties of 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 80634466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).