9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H23N3 — CID 62712043

IUPAC9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2CCc1cccnc1
InChIInChI=1S/C15H23N3/c16-13-9-14-4-1-5-15(10-13)18(14)8-6-12-3-2-7-17-11-12/h2-3,7,11,13-15H,1,4-6,8-10,16H2
InChIKeyWEXODDIOVGMFLB-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.97
Rot. Bonds3

About 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712043) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712043
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2CCc1cccnc1
InChIInChI=1S/C15H23N3/c16-13-9-14-4-1-5-15(10-13)18(14)8-6-12-3-2-7-17-11-12/h2-3,7,11,13-15H,1,4-6,8-10,16H2
InChIKeyWEXODDIOVGMFLB-UHFFFAOYSA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920
9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712936
8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
3-(2-cyclobutylethyl)pyridine
CID 57204476
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759372
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63302875
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844

Frequently Asked Questions

What is the IUPAC name of 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712043) is 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2CCc1cccnc1.
What is the InChIKey of 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WEXODDIOVGMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-13-9-14-4-1-5-15(10-13)18(14)8-6-12-3-2-7-17-11-12/h2-3,7,11,13-15H,1,4-6,8-10,16H2.
What are the key properties of 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 245.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).