(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine

C15H22N2 — CID 98089072

IUPAC(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
SMILESN[C@@H]1CC[C@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C15H22N2/c16-14-6-7-15(10-14)8-9-17(12-15)11-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2/t14-,15+/m1/s1
InChIKeyAHXUSIGCLDCNNO-CABCVRRESA-N
MW230.35 g/mol
LogP2.39
Rot. Bonds2

About (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine

(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine (PubChem CID 98089072) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine.

Molecular Properties

Compound Name(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
PubChem CID98089072
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
SMILESN[C@@H]1CC[C@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C15H22N2/c16-14-6-7-15(10-14)8-9-17(12-15)11-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2/t14-,15+/m1/s1
InChIKeyAHXUSIGCLDCNNO-CABCVRRESA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine?
The IUPAC name of (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine (CID 98089072) is (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine.
What is the SMILES notation for (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine?
The canonical SMILES for (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine is N[C@@H]1CC[C@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine?
The InChIKey is AHXUSIGCLDCNNO-CABCVRRESA-N. The full InChI is InChI=1S/C15H22N2/c16-14-6-7-15(10-14)8-9-17(12-15)11-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2/t14-,15+/m1/s1.
What are the key properties of (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine?
(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine has a molecular weight of 230.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine is sourced from PubChem (CID 98089072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).