8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3 — CID 114957602

IUPAC8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cnccc1C
InChIInChI=1S/C17H27N3/c1-3-7-19-15-9-16-4-5-17(10-15)20(16)12-14-11-18-8-6-13(14)2/h6,8,11,15-17,19H,3-5,7,9-10,12H2,1-2H3
InChIKeyMWYDILUXURGCEK-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.89
Rot. Bonds5

About 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114957602) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114957602
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cnccc1C
InChIInChI=1S/C17H27N3/c1-3-7-19-15-9-16-4-5-17(10-15)20(16)12-14-11-18-8-6-13(14)2/h6,8,11,15-17,19H,3-5,7,9-10,12H2,1-2H3
InChIKeyMWYDILUXURGCEK-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106897823
8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107249
8-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106376421
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739307
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
3-(4-methyl-3-pyridinyl)-N-propylcyclohexan-1-amine
CID 66272337
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 107590090

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 114957602) is 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2Cc1cnccc1C.
What is the InChIKey of 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MWYDILUXURGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-7-19-15-9-16-4-5-17(10-15)20(16)12-14-11-18-8-6-13(14)2/h6,8,11,15-17,19H,3-5,7,9-10,12H2,1-2H3.
What are the key properties of 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114957602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).