(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane

C16H23N — CID 102412356

IUPAC(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
SMILESC[C@H]1CCC[C@]12CCCN2Cc1ccccc1
InChIInChI=1S/C16H23N/c1-14-7-5-10-16(14)11-6-12-17(16)13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3/t14-,16-/m0/s1
InChIKeyVVPDSUPEWQRNGA-HOCLYGCPSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds2

About (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane

(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane (PubChem CID 102412356) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
PubChem CID102412356
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
SMILESC[C@H]1CCC[C@]12CCCN2Cc1ccccc1
InChIInChI=1S/C16H23N/c1-14-7-5-10-16(14)11-6-12-17(16)13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3/t14-,16-/m0/s1
InChIKeyVVPDSUPEWQRNGA-HOCLYGCPSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane (CID 102412356) is (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane is C[C@H]1CCC[C@]12CCCN2Cc1ccccc1.
What is the InChIKey of (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane?
The InChIKey is VVPDSUPEWQRNGA-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H23N/c1-14-7-5-10-16(14)11-6-12-17(16)13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane?
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane has a molecular weight of 229.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane is sourced from PubChem (CID 102412356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).