N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3 — CID 61232143

IUPACN-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCc1ccccn1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3/c1-2-10-20(11-8-14-5-3-4-9-18-14)17-12-15-6-7-16(13-17)19-15/h3-5,9,15-17,19H,2,6-8,10-13H2,1H3
InChIKeyIILUJTDIRHOPRI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.62
Rot. Bonds6

About N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232143) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232143
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCc1ccccn1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3/c1-2-10-20(11-8-14-5-3-4-9-18-14)17-12-15-6-7-16(13-17)19-15/h3-5,9,15-17,19H,2,6-8,10-13H2,1H3
InChIKeyIILUJTDIRHOPRI-UHFFFAOYSA-N
XLogP2.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62470924
N-propyl-N-(2-pyridin-3-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63262796
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63985516
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61493402
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
CID 61231963

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61232143) is N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CCc1ccccn1)C1CC2CCC(C1)N2.
What is the InChIKey of N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IILUJTDIRHOPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-10-20(11-8-14-5-3-4-9-18-14)17-12-15-6-7-16(13-17)19-15/h3-5,9,15-17,19H,2,6-8,10-13H2,1H3.
What are the key properties of N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).