1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine

C16H22N2O — CID 168762021

IUPAC1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])N(C([2H])([2H])[2H])C(C)(C)C([2H])([2H])n1ccc2c3c(ccc21)OCC3
InChIInChI=1S/C16H22N2O/c1-16(2,17(3)4)11-18-9-7-12-13-8-10-19-15(13)6-5-14(12)18/h5-7,9H,8,10-11H2,1-4H3/i3D3,4D3,11D2
InChIKeyIUVWILOJPKUWBC-WZWZWZOFSA-N
MW266.41 g/mol
LogP2.92
Rot. Bonds5

About 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine

1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine (PubChem CID 168762021) has the molecular formula C16H22N2O and a molecular weight of 266.41 g/mol. Its IUPAC name is 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine
PubChem CID168762021
Molecular FormulaC16H22N2O
Molecular Weight266.41 g/mol
Exact Mass266.22
IUPAC Name1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])N(C([2H])([2H])[2H])C(C)(C)C([2H])([2H])n1ccc2c3c(ccc21)OCC3
InChIInChI=1S/C16H22N2O/c1-16(2,17(3)4)11-18-9-7-12-13-8-10-19-15(13)6-5-14(12)18/h5-7,9H,8,10-11H2,1-4H3/i3D3,4D3,11D2
InChIKeyIUVWILOJPKUWBC-WZWZWZOFSA-N
XLogP2.92
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine?
The IUPAC name of 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine (CID 168762021) is 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine.
What is the SMILES notation for 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine?
The canonical SMILES for 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine is [2H]C([2H])([2H])N(C([2H])([2H])[2H])C(C)(C)C([2H])([2H])n1ccc2c3c(ccc21)OCC3.
What is the InChIKey of 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine?
The InChIKey is IUVWILOJPKUWBC-WZWZWZOFSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,17(3)4)11-18-9-7-12-13-8-10-19-15(13)6-5-14(12)18/h5-7,9H,8,10-11H2,1-4H3/i3D3,4D3,11D2.
What are the key properties of 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine?
1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-1-(1,2-dihydrofuro[3,2-e]indol-6-yl)-2-methyl-N,N-bis(trideuteriomethyl)propan-2-amine is sourced from PubChem (CID 168762021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).