N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H25N3 — CID 62740890

IUPACN-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cccnc1
InChIInChI=1S/C16H25N3/c1-2-7-18-14-9-15-5-6-16(10-14)19(15)12-13-4-3-8-17-11-13/h3-4,8,11,14-16,18H,2,5-7,9-10,12H2,1H3
InChIKeyHZPJPKLXBQJUIY-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds5

About N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740890) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740890
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cccnc1
InChIInChI=1S/C16H25N3/c1-2-7-18-14-9-15-5-6-16(10-14)19(15)12-13-4-3-8-17-11-13/h3-4,8,11,14-16,18H,2,5-7,9-10,12H2,1H3
InChIKeyHZPJPKLXBQJUIY-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62740890) is N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2Cc1cccnc1.
What is the InChIKey of N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HZPJPKLXBQJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-7-18-14-9-15-5-6-16(10-14)19(15)12-13-4-3-8-17-11-13/h3-4,8,11,14-16,18H,2,5-7,9-10,12H2,1H3.
What are the key properties of N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 259.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).