propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane

C33H73NOS — CID 161205550

IUPACpropane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane
SMILESCC(C)C1CCCCN1.CC(C)C1CCCCO1.CC(C)C1CCCCS1.CCC.CCC.CCC
InChIInChI=1S/C8H17N.C8H16O.C8H16S.3C3H8/c3*1-7(2)8-5-3-4-6-9-8;3*1-3-2/h7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;3*3H2,1-2H3
InChIKeyUVNWJXJVFUPYBU-UHFFFAOYSA-N
MW532.02 g/mol
LogP11.17
Rot. Bonds3

About propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane

propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane (PubChem CID 161205550) has the molecular formula C33H73NOS and a molecular weight of 532.02 g/mol. Its IUPAC name is propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane.

Molecular Properties

Compound Namepropane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane
PubChem CID161205550
Molecular FormulaC33H73NOS
Molecular Weight532.02 g/mol
Exact Mass531.54
IUPAC Namepropane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane
SMILESCC(C)C1CCCCN1.CC(C)C1CCCCO1.CC(C)C1CCCCS1.CCC.CCC.CCC
InChIInChI=1S/C8H17N.C8H16O.C8H16S.3C3H8/c3*1-7(2)8-5-3-4-6-9-8;3*1-3-2/h7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;3*3H2,1-2H3
InChIKeyUVNWJXJVFUPYBU-UHFFFAOYSA-N
XLogP11.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.02
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane with MolForge

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Launch Full Analysis

Related Compounds

2-[2-Fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]piperidine
CID 116010992
(2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine
CID 139310342
5-(3-Methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine
CID 149124486
2,3-Di(propan-2-yl)oxane;2,3-di(propan-2-yl)piperidine;2,3-di(propan-2-yl)thiane;ethane
CID 159215196
(2R,6S)-2,6-di(propan-2-yl)oxane;(2S,6S)-2,6-di(propan-2-yl)oxane;(2R,6R)-2,6-di(propan-2-yl)oxane;(3R,5R)-3,5-di(propan-2-yl)thiomorpholine
CID 159969975
Ethane;2-propan-2-yloxane;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propan-2-ylthiane;3-propan-2-ylthiane;4-propan-2-ylthiane
CID 160735927
3-[5-[4-[5-(4-Tert-butylthian-4-yl)-2-methylhexan-2-yl]oxan-4-yl]-2,5-dimethylhexan-2-yl]-3-propan-2-ylpiperidine
CID 170173687
N-(3-methylsulfanylpropyl)-2-propan-2-yloxan-4-amine
CID 64102930
N-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-yloxan-4-amine
CID 64103120
2-[2-(1-Oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine
CID 79894016
N-(6-methylheptan-2-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895081
N-[(1-methylpiperidin-3-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895315

Frequently Asked Questions

What is the IUPAC name of propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane?
The IUPAC name of propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane (CID 161205550) is propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane.
What is the SMILES notation for propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane?
The canonical SMILES for propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane is CC(C)C1CCCCN1.CC(C)C1CCCCO1.CC(C)C1CCCCS1.CCC.CCC.CCC.
What is the InChIKey of propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane?
The InChIKey is UVNWJXJVFUPYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H16O.C8H16S.3C3H8/c3*1-7(2)8-5-3-4-6-9-8;3*1-3-2/h7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;3*3H2,1-2H3.
What are the key properties of propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane?
propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane has a molecular weight of 532.02 g/mol, XLogP of 11.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2-propan-2-yloxane;2-propan-2-ylpiperidine;2-propan-2-ylthiane is sourced from PubChem (CID 161205550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).