(8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H23NO2 — CID 7348524

IUPAC(8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1(C)CC2(C[C@@H](c3ccccc3)[C@@H]1N)OCCO2
InChIInChI=1S/C16H23NO2/c1-15(2)11-16(18-8-9-19-16)10-13(14(15)17)12-6-4-3-5-7-12/h3-7,13-14H,8-11,17H2,1-2H3/t13-,14-/m0/s1
InChIKeyAIEVHOPSTXEGNU-KBPBESRZSA-N
MW261.36 g/mol
LogP2.66
Rot. Bonds1

About (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine

(8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 7348524) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name(8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID7348524
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1(C)CC2(C[C@@H](c3ccccc3)[C@@H]1N)OCCO2
InChIInChI=1S/C16H23NO2/c1-15(2)11-16(18-8-9-19-16)10-13(14(15)17)12-6-4-3-5-7-12/h3-7,13-14H,8-11,17H2,1-2H3/t13-,14-/m0/s1
InChIKeyAIEVHOPSTXEGNU-KBPBESRZSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 7348524) is (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is CC1(C)CC2(C[C@@H](c3ccccc3)[C@@H]1N)OCCO2.
What is the InChIKey of (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is AIEVHOPSTXEGNU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2)11-16(18-8-9-19-16)10-13(14(15)17)12-6-4-3-5-7-12/h3-7,13-14H,8-11,17H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
(8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 261.36 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S)-7,7-dimethyl-9-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 7348524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).