[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

C13H18N2 — CID 98160357

IUPAC[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNCC1[C@H]2CN(Cc3ccccc3)C[C@H]12
InChIInChI=1S/C13H18N2/c14-6-11-12-8-15(9-13(11)12)7-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t12-,13-/m1/s1
InChIKeyUNLBCCJUBAVNHR-CHWSQXEVSA-N
MW202.30 g/mol
LogP1.32
Rot. Bonds3

About [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 98160357) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound Name[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID98160357
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESNCC1[C@H]2CN(Cc3ccccc3)C[C@H]12
InChIInChI=1S/C13H18N2/c14-6-11-12-8-15(9-13(11)12)7-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t12-,13-/m1/s1
InChIKeyUNLBCCJUBAVNHR-CHWSQXEVSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 174034273
2-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)acetonitrile
CID 138522849
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361
2-benzyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole
CID 72622975
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
1-benzylazetidine-3-carbonitrile
CID 19814762
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzylazepane-3,4,5,6-tetrol
CID 18417354

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (CID 98160357) is [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is NCC1[C@H]2CN(Cc3ccccc3)C[C@H]12.
What is the InChIKey of [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is UNLBCCJUBAVNHR-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18N2/c14-6-11-12-8-15(9-13(11)12)7-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t12-,13-/m1/s1.
What are the key properties of [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 98160357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).