N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine

C14H21N3 — CID 43195052

IUPACN-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(NC1CN2CCC1CC2)c1ccccn1
InChIInChI=1S/C14H21N3/c1-11(13-4-2-3-7-15-13)16-14-10-17-8-5-12(14)6-9-17/h2-4,7,11-12,14,16H,5-6,8-10H2,1H3
InChIKeyXGOWPZZCTRSYKR-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.83
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43195052) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43195052
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(NC1CN2CCC1CC2)c1ccccn1
InChIInChI=1S/C14H21N3/c1-11(13-4-2-3-7-15-13)16-14-10-17-8-5-12(14)6-9-17/h2-4,7,11-12,14,16H,5-6,8-10H2,1H3
InChIKeyXGOWPZZCTRSYKR-UHFFFAOYSA-N
XLogP1.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64908416
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
N-[(1S)-1-(2-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 81374392
N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195061
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
CID 102731505
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
3-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64921322
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-[1-(4-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195066

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43195052) is N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine is CC(NC1CN2CCC1CC2)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XGOWPZZCTRSYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(13-4-2-3-7-15-13)16-14-10-17-8-5-12(14)6-9-17/h2-4,7,11-12,14,16H,5-6,8-10H2,1H3.
What are the key properties of N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43195052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).