[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine

C13H18N2 — CID 90065591

IUPAC[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@@H]1C2C[C@H]2CN1Cc1ccccc1
InChIInChI=1S/C13H18N2/c14-7-13-12-6-11(12)9-15(13)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12?,13+/m0/s1
InChIKeyBYIORNOSWMDYSC-IAMFDIQRSA-N
MW202.30 g/mol
LogP1.47
Rot. Bonds3

About [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine

[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine (PubChem CID 90065591) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
PubChem CID90065591
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
SMILESNC[C@@H]1C2C[C@H]2CN1Cc1ccccc1
InChIInChI=1S/C13H18N2/c14-7-13-12-6-11(12)9-15(13)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12?,13+/m0/s1
InChIKeyBYIORNOSWMDYSC-IAMFDIQRSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,5R)-3-benzyl-2-(3-chloropropyl)-3-azabicyclo[3.1.0]hexane
CID 164675319
(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol
CID 67789671
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
[(3R,3aR,6aS)-2-benzyl-5-methyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ium-3-yl]methanamine
CID 135018151
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
(1R,4R,5R)-2-benzyl-5-iodo-2-azabicyclo[2.1.1]hexane
CID 44519577
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 58099616
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
The IUPAC name of [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine (CID 90065591) is [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine.
What is the SMILES notation for [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
The canonical SMILES for [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine is NC[C@@H]1C2C[C@H]2CN1Cc1ccccc1.
What is the InChIKey of [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
The InChIKey is BYIORNOSWMDYSC-IAMFDIQRSA-N. The full InChI is InChI=1S/C13H18N2/c14-7-13-12-6-11(12)9-15(13)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12?,13+/m0/s1.
What are the key properties of [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine?
[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine is sourced from PubChem (CID 90065591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).