(8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one

C19H32N2O2 — CID 170611690

IUPAC(8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one
SMILESCC(C)C1CC2CN(CC3CCCCO3)C[C@H]3CCC(=O)N1[C@@H]23
InChIInChI=1S/C19H32N2O2/c1-13(2)17-9-15-11-20(12-16-5-3-4-8-23-16)10-14-6-7-18(22)21(17)19(14)15/h13-17,19H,3-12H2,1-2H3/t14-,15?,16?,17?,19-/m1/s1
InChIKeyFHCACXBORDOODG-BFMGNDMSSA-N
MW320.48 g/mol
LogP2.52
Rot. Bonds3

About (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one

(8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one (PubChem CID 170611690) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one.

Molecular Properties

Compound Name(8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one
PubChem CID170611690
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one
SMILESCC(C)C1CC2CN(CC3CCCCO3)C[C@H]3CCC(=O)N1[C@@H]23
InChIInChI=1S/C19H32N2O2/c1-13(2)17-9-15-11-20(12-16-5-3-4-8-23-16)10-14-6-7-18(22)21(17)19(14)15/h13-17,19H,3-12H2,1-2H3/t14-,15?,16?,17?,19-/m1/s1
InChIKeyFHCACXBORDOODG-BFMGNDMSSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,4S,9R)-11-[(4-fluorophenyl)methyl]-4-propan-2-yl-2-oxa-5,11-diazatricyclo[7.4.1.05,14]tetradecan-6-one
CID 170446245
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
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CID 63721061
N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide
CID 51077626
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
3-bromo-4-ethyl-1-(oxan-2-ylmethyl)pyrrolidine
CID 130857569
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
CID 64834625
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455

Frequently Asked Questions

What is the IUPAC name of (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one?
The IUPAC name of (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one (CID 170611690) is (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one.
What is the SMILES notation for (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one?
The canonical SMILES for (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one is CC(C)C1CC2CN(CC3CCCCO3)C[C@H]3CCC(=O)N1[C@@H]23.
What is the InChIKey of (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one?
The InChIKey is FHCACXBORDOODG-BFMGNDMSSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13(2)17-9-15-11-20(12-16-5-3-4-8-23-16)10-14-6-7-18(22)21(17)19(14)15/h13-17,19H,3-12H2,1-2H3/t14-,15?,16?,17?,19-/m1/s1.
What are the key properties of (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one?
(8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one has a molecular weight of 320.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,12R)-6-(oxan-2-ylmethyl)-2-propan-2-yl-1,6-diazatricyclo[6.3.1.04,12]dodecan-11-one is sourced from PubChem (CID 170611690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).