(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine

C11H22N2 — CID 162446493

IUPAC(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)N1C2CCC[C@@H]1CC(N)C2
InChIInChI=1S/C11H22N2/c1-8(2)13-10-4-3-5-11(13)7-9(12)6-10/h8-11H,3-7,12H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyJMRWTFYKVADZSU-HSOILSAZSA-N
MW182.31 g/mol
LogP1.74
Rot. Bonds1

About (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine

(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 162446493) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID162446493
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)N1C2CCC[C@@H]1CC(N)C2
InChIInChI=1S/C11H22N2/c1-8(2)13-10-4-3-5-11(13)7-9(12)6-10/h8-11H,3-7,12H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyJMRWTFYKVADZSU-HSOILSAZSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine (CID 162446493) is (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)N1C2CCC[C@@H]1CC(N)C2.
What is the InChIKey of (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is JMRWTFYKVADZSU-HSOILSAZSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)13-10-4-3-5-11(13)7-9(12)6-10/h8-11H,3-7,12H2,1-2H3/t9?,10-,11?/m1/s1.
What are the key properties of (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 162446493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).