(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine

C13H18N2 — CID 67234366

IUPAC(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESN[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2
InChIInChI=1S/C13H18N2/c14-13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12-,13-/m1/s1
InChIKeyRLVKNSFGRHNZJI-JHJVBQTASA-N
MW202.30 g/mol
LogP1.61
Rot. Bonds2

About (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine

(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine (PubChem CID 67234366) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound Name(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
PubChem CID67234366
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESN[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2
InChIInChI=1S/C13H18N2/c14-13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12-,13-/m1/s1
InChIKeyRLVKNSFGRHNZJI-JHJVBQTASA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
(1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 56972812
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 98071497
N-[(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)methyl]ethanamine
CID 22238389
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
6-benzyl-3,6-diazabicyclo[3.2.0]heptane
CID 83669976
(1R,4R,5R)-2-benzyl-5-iodo-2-azabicyclo[2.1.1]hexane
CID 44519577
(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
CID 57017760
(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
CID 162367950
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
The IUPAC name of (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine (CID 67234366) is (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine is N[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2.
What is the InChIKey of (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
The InChIKey is RLVKNSFGRHNZJI-JHJVBQTASA-N. The full InChI is InChI=1S/C13H18N2/c14-13-11-6-7-12(13)15(9-11)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t11-,12-,13-/m1/s1.
What are the key properties of (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine?
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine has a molecular weight of 202.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 67234366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).