N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine

C14H21N3 — CID 105364766

IUPACN-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESC[C@@H](NC1CCN2CCC1C2)c1cccnc1
InChIInChI=1S/C14H21N3/c1-11(12-3-2-6-15-9-12)16-14-5-8-17-7-4-13(14)10-17/h2-3,6,9,11,13-14,16H,4-5,7-8,10H2,1H3/t11-,13?,14?/m1/s1
InChIKeyWAHFIVDKLGOWLQ-LMWSTFAQSA-N
MW231.34 g/mol
LogP1.83
Rot. Bonds3

About N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364766) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364766
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESC[C@@H](NC1CCN2CCC1C2)c1cccnc1
InChIInChI=1S/C14H21N3/c1-11(12-3-2-6-15-9-12)16-14-5-8-17-7-4-13(14)10-17/h2-3,6,9,11,13-14,16H,4-5,7-8,10H2,1H3/t11-,13?,14?/m1/s1
InChIKeyWAHFIVDKLGOWLQ-LMWSTFAQSA-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

N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
CID 102671440
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
2,5-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81406468
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364766) is N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine is C[C@@H](NC1CCN2CCC1C2)c1cccnc1.
What is the InChIKey of N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is WAHFIVDKLGOWLQ-LMWSTFAQSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(12-3-2-6-15-9-12)16-14-5-8-17-7-4-13(14)10-17/h2-3,6,9,11,13-14,16H,4-5,7-8,10H2,1H3/t11-,13?,14?/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-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-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).