(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

C15H19N3 — CID 98052462

IUPAC(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESN#CC1(N)C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C15H19N3/c16-11-15(17)8-13-6-7-14(9-15)18(13)10-12-4-2-1-3-5-12/h1-5,13-14H,6-10,17H2/t13-,14-/m0/s1
InChIKeyYOPWHKJAHRXACC-KBPBESRZSA-N
MW241.34 g/mol
LogP2.03
Rot. Bonds2

About (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 98052462) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID98052462
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESN#CC1(N)C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C15H19N3/c16-11-15(17)8-13-6-7-14(9-15)18(13)10-12-4-2-1-3-5-12/h1-5,13-14H,6-10,17H2/t13-,14-/m0/s1
InChIKeyYOPWHKJAHRXACC-KBPBESRZSA-N
XLogP2.03
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 66774815
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83913342
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
3-amino-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936432
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 82667479
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
CID 15639095
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 98052462) is (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is N#CC1(N)C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1.
What is the InChIKey of (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is YOPWHKJAHRXACC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19N3/c16-11-15(17)8-13-6-7-14(9-15)18(13)10-12-4-2-1-3-5-12/h1-5,13-14H,6-10,17H2/t13-,14-/m0/s1.
What are the key properties of (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 98052462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).