(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane

C15H21N — CID 125453576

IUPAC(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCC(C)c1ccc([C@@H]2C[C@H]3CNC[C@@H]32)cc1
InChIInChI=1S/C15H21N/c1-10(2)11-3-5-12(6-4-11)14-7-13-8-16-9-15(13)14/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14-,15-/m0/s1
InChIKeyLXJWLQKEGUCREW-KKUMJFAQSA-N
MW215.34 g/mol
LogP3.13
Rot. Bonds2

About (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane

(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane (PubChem CID 125453576) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane
PubChem CID125453576
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCC(C)c1ccc([C@@H]2C[C@H]3CNC[C@@H]32)cc1
InChIInChI=1S/C15H21N/c1-10(2)11-3-5-12(6-4-11)14-7-13-8-16-9-15(13)14/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14-,15-/m0/s1
InChIKeyLXJWLQKEGUCREW-KKUMJFAQSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane (CID 125453576) is (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane is CC(C)c1ccc([C@@H]2C[C@H]3CNC[C@@H]32)cc1.
What is the InChIKey of (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is LXJWLQKEGUCREW-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H21N/c1-10(2)11-3-5-12(6-4-11)14-7-13-8-16-9-15(13)14/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14-,15-/m0/s1.
What are the key properties of (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane?
(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane has a molecular weight of 215.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 125453576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).