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

C14H21N3 — CID 61231864

IUPACN-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(N(C)C2CC3CCC(C2)N3)nc1
InChIInChI=1S/C14H21N3/c1-10-3-6-14(15-9-10)17(2)13-7-11-4-5-12(8-13)16-11/h3,6,9,11-13,16H,4-5,7-8H2,1-2H3
InChIKeyXJIORVIRLDUVMP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.11
Rot. Bonds2

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

N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231864) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231864
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(N(C)C2CC3CCC(C2)N3)nc1
InChIInChI=1S/C14H21N3/c1-10-3-6-14(15-9-10)17(2)13-7-11-4-5-12(8-13)16-11/h3,6,9,11-13,16H,4-5,7-8H2,1-2H3
InChIKeyXJIORVIRLDUVMP-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61231864) is N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccc(N(C)C2CC3CCC(C2)N3)nc1.
What is the InChIKey of N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XJIORVIRLDUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-3-6-14(15-9-10)17(2)13-7-11-4-5-12(8-13)16-11/h3,6,9,11-13,16H,4-5,7-8H2,1-2H3.
What are the key properties of N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).