1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine

C15H23NO2 — CID 25182964

IUPAC1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILES[2H]Oc1cccc([C@]2(O[2H])CCCC[C@H]2C([2H])([2H])N(C)C)c1
InChIInChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1/i11D2,18D/hD
InChIKeyUWJUQVWARXYRCG-VZYFLEPVSA-N
MW253.38 g/mol
LogP2.33
Rot. Bonds5

About 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine

1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 25182964) has the molecular formula C15H23NO2 and a molecular weight of 253.38 g/mol. Its IUPAC name is 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine
PubChem CID25182964
Molecular FormulaC15H23NO2
Molecular Weight253.38 g/mol
Exact Mass253.20
IUPAC Name1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILES[2H]Oc1cccc([C@]2(O[2H])CCCC[C@H]2C([2H])([2H])N(C)C)c1
InChIInChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1/i11D2,18D/hD
InChIKeyUWJUQVWARXYRCG-VZYFLEPVSA-N
XLogP2.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine (CID 25182964) is 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine is [2H]Oc1cccc([C@]2(O[2H])CCCC[C@H]2C([2H])([2H])N(C)C)c1.
What is the InChIKey of 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is UWJUQVWARXYRCG-VZYFLEPVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1/i11D2,18D/hD.
What are the key properties of 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine?
1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 253.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 25182964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).