4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline

C17H25NO2 — CID 910108

IUPAC4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@H]2OCCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H25NO2/c1-18(2)15-8-6-14(7-9-15)16-19-13-12-17(20-16)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m0/s1
InChIKeyGYIPWEFNAWFESF-INIZCTEOSA-N
MW275.39 g/mol
LogP3.89
Rot. Bonds2

About 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline

4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline (PubChem CID 910108) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline
PubChem CID910108
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@H]2OCCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H25NO2/c1-18(2)15-8-6-14(7-9-15)16-19-13-12-17(20-16)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m0/s1
InChIKeyGYIPWEFNAWFESF-INIZCTEOSA-N
XLogP3.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline (CID 910108) is 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline is CN(C)c1ccc([C@H]2OCCC3(CCCCC3)O2)cc1.
What is the InChIKey of 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline?
The InChIKey is GYIPWEFNAWFESF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(2)15-8-6-14(7-9-15)16-19-13-12-17(20-16)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline?
4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline has a molecular weight of 275.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,3-dioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 910108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).