8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C13H18ClN3 — CID 79256023

IUPAC8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cc(Cl)ccn1
InChIInChI=1S/C13H18ClN3/c14-9-3-4-16-11(5-9)8-17-12-1-2-13(17)7-10(15)6-12/h3-5,10,12-13H,1-2,6-8,15H2
InChIKeyGYFXWFDREFMKMK-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.19
Rot. Bonds2

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

8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 79256023) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID79256023
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cc(Cl)ccn1
InChIInChI=1S/C13H18ClN3/c14-9-3-4-16-11(5-9)8-17-12-1-2-13(17)7-10(15)6-12/h3-5,10,12-13H,1-2,6-8,15H2
InChIKeyGYFXWFDREFMKMK-UHFFFAOYSA-N
XLogP2.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 79256023) is 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1cc(Cl)ccn1.
What is the InChIKey of 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GYFXWFDREFMKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-9-3-4-16-11(5-9)8-17-12-1-2-13(17)7-10(15)6-12/h3-5,10,12-13H,1-2,6-8,15H2.
What are the key properties of 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 251.76 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 79256023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).