(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine

C9H18N2 — CID 130778942

IUPAC(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine
SMILESC[C@@H]1[C@@H]2CCCN1CC[C@H]2N
InChIInChI=1S/C9H18N2/c1-7-8-3-2-5-11(7)6-4-9(8)10/h7-9H,2-6,10H2,1H3/t7-,8+,9-/m1/s1
InChIKeyDUHHXUORQLFRHP-HRDYMLBCSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds

About (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine

(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine (PubChem CID 130778942) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine.

Molecular Properties

Compound Name(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine
PubChem CID130778942
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine
SMILESC[C@@H]1[C@@H]2CCCN1CC[C@H]2N
InChIInChI=1S/C9H18N2/c1-7-8-3-2-5-11(7)6-4-9(8)10/h7-9H,2-6,10H2,1H3/t7-,8+,9-/m1/s1
InChIKeyDUHHXUORQLFRHP-HRDYMLBCSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine?
The IUPAC name of (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine (CID 130778942) is (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine.
What is the SMILES notation for (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine?
The canonical SMILES for (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine is C[C@@H]1[C@@H]2CCCN1CC[C@H]2N.
What is the InChIKey of (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine?
The InChIKey is DUHHXUORQLFRHP-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-8-3-2-5-11(7)6-4-9(8)10/h7-9H,2-6,10H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine?
(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine is sourced from PubChem (CID 130778942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).