2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine

C12H16N2 — CID 130023473

IUPAC2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(Cc1ccccc1)C2
InChIInChI=1S/C12H16N2/c13-12-10-6-11(12)14(8-10)7-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13H2
InChIKeyOIXQAUZFFMPJSJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.22
Rot. Bonds2

About 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine

2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 130023473) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID130023473
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
SMILESNC1C2CC1N(Cc1ccccc1)C2
InChIInChI=1S/C12H16N2/c13-12-10-6-11(12)14(8-10)7-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13H2
InChIKeyOIXQAUZFFMPJSJ-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
(1R,4R,5R)-2-benzyl-5-iodo-2-azabicyclo[2.1.1]hexane
CID 44519577
2-(1-benzylpiperidin-4-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130871523
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
6-benzyl-3,6-diazabicyclo[3.2.0]heptane
CID 83669976
2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
(1R,4R,5R)-5-azido-2-benzyl-2-azabicyclo[2.1.1]hexane
CID 44519573
[(2S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 90065591
(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669538
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine (CID 130023473) is 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine is NC1C2CC1N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is OIXQAUZFFMPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-12-10-6-11(12)14(8-10)7-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13H2.
What are the key properties of 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine?
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 188.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 130023473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).