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

C15H24N4 — CID 106897823

IUPACN-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cccnn1
InChIInChI=1S/C15H24N4/c1-2-7-16-13-9-14-5-6-15(10-13)19(14)11-12-4-3-8-17-18-12/h3-4,8,13-16H,2,5-7,9-11H2,1H3
InChIKeyBVNWSNLEGAPUOO-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.97
Rot. Bonds5

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

N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106897823) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106897823
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cccnn1
InChIInChI=1S/C15H24N4/c1-2-7-16-13-9-14-5-6-15(10-13)19(14)11-12-4-3-8-17-18-12/h3-4,8,13-16H,2,5-7,9-11H2,1H3
InChIKeyBVNWSNLEGAPUOO-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 122269116
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114957602
9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81173487
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302597
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
8-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106376421
8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107249

Frequently Asked Questions

What is the IUPAC name of N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 106897823) is N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2Cc1cccnn1.
What is the InChIKey of N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BVNWSNLEGAPUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-7-16-13-9-14-5-6-15(10-13)19(14)11-12-4-3-8-17-18-12/h3-4,8,13-16H,2,5-7,9-11H2,1H3.
What are the key properties of N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106897823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).