[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine

C14H20N2 — CID 129498513

IUPAC[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
SMILESNC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H20N2/c15-10-14-7-6-13(14)9-16(11-14)8-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2/t13-,14+/m0/s1
InChIKeyLIIHLGGEVZMUBJ-UONOGXRCSA-N
MW216.33 g/mol
LogP1.86
Rot. Bonds3

About [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine

[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine (PubChem CID 129498513) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
PubChem CID129498513
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
SMILESNC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H20N2/c15-10-14-7-6-13(14)9-16(11-14)8-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2/t13-,14+/m0/s1
InChIKeyLIIHLGGEVZMUBJ-UONOGXRCSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
CID 129391344
[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 99109794
[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 102547836
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
CID 167716634
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 124845102
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
CID 126511178
3',7'-dibenzylspiro[1,3-benzodioxole-2,9'-3,7-diazabicyclo[3.3.1]nonane]
CID 140589678
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine?
The IUPAC name of [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine (CID 129498513) is [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine.
What is the SMILES notation for [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine?
The canonical SMILES for [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine is NC[C@@]12CC[C@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine?
The InChIKey is LIIHLGGEVZMUBJ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N2/c15-10-14-7-6-13(14)9-16(11-14)8-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2/t13-,14+/m0/s1.
What are the key properties of [(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine?
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 1.86, 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[3.2.0]heptan-1-yl]methanamine is sourced from PubChem (CID 129498513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).