(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H23NO2 — CID 169132478

IUPAC(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H]1CC2(CC[C@@H]1NCc1ccccc1)OCCO2
InChIInChI=1S/C16H23NO2/c1-13-11-16(18-9-10-19-16)8-7-15(13)17-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3/t13-,15+/m1/s1
InChIKeyBMYQJFXYGVIBAS-HIFRSBDPSA-N
MW261.36 g/mol
LogP2.71
Rot. Bonds3

About (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine

(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 169132478) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID169132478
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H]1CC2(CC[C@@H]1NCc1ccccc1)OCCO2
InChIInChI=1S/C16H23NO2/c1-13-11-16(18-9-10-19-16)8-7-15(13)17-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3/t13-,15+/m1/s1
InChIKeyBMYQJFXYGVIBAS-HIFRSBDPSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 169132478) is (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine is C[C@@H]1CC2(CC[C@@H]1NCc1ccccc1)OCCO2.
What is the InChIKey of (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is BMYQJFXYGVIBAS-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-11-16(18-9-10-19-16)8-7-15(13)17-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 261.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 169132478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).