N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H20N4O2 — CID 83259622

IUPACN-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cnc(N(C)C2CC3CCC(C2)N3)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O2/c1-9-8-15-14(7-13(9)18(19)20)17(2)12-5-10-3-4-11(6-12)16-10/h7-8,10-12,16H,3-6H2,1-2H3
InChIKeyIYASYAAXFWLFPS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83259622) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83259622
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cnc(N(C)C2CC3CCC(C2)N3)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O2/c1-9-8-15-14(7-13(9)18(19)20)17(2)12-5-10-3-4-11(6-12)16-10/h7-8,10-12,16H,3-6H2,1-2H3
InChIKeyIYASYAAXFWLFPS-UHFFFAOYSA-N
XLogP2.02
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 83259622) is N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1cnc(N(C)C2CC3CCC(C2)N3)cc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IYASYAAXFWLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-8-15-14(7-13(9)18(19)20)17(2)12-5-10-3-4-11(6-12)16-10/h7-8,10-12,16H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83259622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).