(1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C11H22N2 — CID 39871909

IUPAC(1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1C[C@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C11H22N2/c1-8(2)13-6-9-4-3-5-10(7-13)11(9)12/h8-11H,3-7,12H2,1-2H3/t9-,10+,11?
InChIKeyKUIDTALBUSZCDI-ZACCUICWSA-N
MW182.31 g/mol
LogP1.45
Rot. Bonds1

About (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

(1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 39871909) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name(1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID39871909
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1C[C@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C11H22N2/c1-8(2)13-6-9-4-3-5-10(7-13)11(9)12/h8-11H,3-7,12H2,1-2H3/t9-,10+,11?
InChIKeyKUIDTALBUSZCDI-ZACCUICWSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 39871909) is (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1C[C@H]2CCC[C@@H](C1)C2N.
What is the InChIKey of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is KUIDTALBUSZCDI-ZACCUICWSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)13-6-9-4-3-5-10(7-13)11(9)12/h8-11H,3-7,12H2,1-2H3/t9-,10+,11?.
What are the key properties of (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 182.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 39871909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).