(1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine

C16H24N2 — CID 68902674

IUPAC(1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine
SMILESCN[C@@]12CC[C@@H](CCC1Cc1ccccc1)N2C
InChIInChI=1S/C16H24N2/c1-17-16-11-10-15(18(16)2)9-8-14(16)12-13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3/t14?,15-,16-/m1/s1
InChIKeyRYPYPCCYKXBUBL-ANGDWKNPSA-N
MW244.38 g/mol
LogP2.65
Rot. Bonds3

About (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine

(1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine (PubChem CID 68902674) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine.

Molecular Properties

Compound Name(1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine
PubChem CID68902674
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine
SMILESCN[C@@]12CC[C@@H](CCC1Cc1ccccc1)N2C
InChIInChI=1S/C16H24N2/c1-17-16-11-10-15(18(16)2)9-8-14(16)12-13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3/t14?,15-,16-/m1/s1
InChIKeyRYPYPCCYKXBUBL-ANGDWKNPSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine?
The IUPAC name of (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine (CID 68902674) is (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine.
What is the SMILES notation for (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine?
The canonical SMILES for (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine is CN[C@@]12CC[C@@H](CCC1Cc1ccccc1)N2C.
What is the InChIKey of (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine?
The InChIKey is RYPYPCCYKXBUBL-ANGDWKNPSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-16-11-10-15(18(16)2)9-8-14(16)12-13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3/t14?,15-,16-/m1/s1.
What are the key properties of (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine?
(1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine is sourced from PubChem (CID 68902674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).