2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole

C36H60N2O2S — CID 161352054

IUPAC2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)CC1CCCO1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccco1.CC(C)(C)Cc1cncs1
InChIInChI=1S/C10H15N.C9H18O.C9H14O.C8H13NS/c1-10(2,3)7-9-5-4-6-11-8-9;2*1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)4-7-5-9-6-10-7/h4-6,8H,7H2,1-3H3;8H,4-7H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3
InChIKeyVOAZTICYJMMECE-UHFFFAOYSA-N
MW584.96 g/mol
LogP10.87
Rot. Bonds4

About 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole

2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 161352054) has the molecular formula C36H60N2O2S and a molecular weight of 584.96 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID161352054
Molecular FormulaC36H60N2O2S
Molecular Weight584.96 g/mol
Exact Mass584.44
IUPAC Name2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)CC1CCCO1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccco1.CC(C)(C)Cc1cncs1
InChIInChI=1S/C10H15N.C9H18O.C9H14O.C8H13NS/c1-10(2,3)7-9-5-4-6-11-8-9;2*1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)4-7-5-9-6-10-7/h4-6,8H,7H2,1-3H3;8H,4-7H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3
InChIKeyVOAZTICYJMMECE-UHFFFAOYSA-N
XLogP10.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.96
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole with MolForge

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Related Compounds

3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
CID 62604735
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 94799650
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 51086858
1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 76540758
2-(oxolan-2-ylmethylperoxymethyl)furan
CID 174548710
1-[[(2R)-oxolan-2-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
CID 51428347
furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol
CID 159609669
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole (CID 161352054) is 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)CC1CCCO1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccco1.CC(C)(C)Cc1cncs1.
What is the InChIKey of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is VOAZTICYJMMECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H18O.C9H14O.C8H13NS/c1-10(2,3)7-9-5-4-6-11-8-9;2*1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)4-7-5-9-6-10-7/h4-6,8H,7H2,1-3H3;8H,4-7H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole?
2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 584.96 g/mol, XLogP of 10.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 161352054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).