azane;ethane;ethanol;formaldehyde;propane

C37H105NO2 — CID 159875999

IUPACazane;ethane;ethanol;formaldehyde;propane
SMILESC=O.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCO.N
InChIInChI=1S/8C3H8.C2H6O.5C2H6.CH2O.H3N/c8*1-3-2;1-2-3;6*1-2;/h8*3H2,1-2H3;3H,2H2,1H3;5*1-2H3;1H2;1H3
InChIKeyIQRXCSPJDACVKS-UHFFFAOYSA-N
MW596.25 g/mol
LogP16.44
Rot. Bonds

About azane;ethane;ethanol;formaldehyde;propane

azane;ethane;ethanol;formaldehyde;propane (PubChem CID 159875999) has the molecular formula C37H105NO2 and a molecular weight of 596.25 g/mol. Its IUPAC name is azane;ethane;ethanol;formaldehyde;propane.

Molecular Properties

Compound Nameazane;ethane;ethanol;formaldehyde;propane
PubChem CID159875999
Molecular FormulaC37H105NO2
Molecular Weight596.25 g/mol
Exact Mass595.81
IUPAC Nameazane;ethane;ethanol;formaldehyde;propane
SMILESC=O.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCO.N
InChIInChI=1S/8C3H8.C2H6O.5C2H6.CH2O.H3N/c8*1-3-2;1-2-3;6*1-2;/h8*3H2,1-2H3;3H,2H2,1H3;5*1-2H3;1H2;1H3
InChIKeyIQRXCSPJDACVKS-UHFFFAOYSA-N
XLogP16.44
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.25
LogP ≤ 516.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;formaldehyde;propane
CID 145216387
ethane;formaldehyde;propane
CID 160717589
azane;ethanol
CID 173204929
ethanol;propane
CID 158736248
azane;ethanol;hydron
CID 173431857
azane;carbonic acid;ethanol
CID 173096974
azane;carbon dioxide;ethanol
CID 87375143
ethanol;oxotitanium
CID 86198099
azane;ethanol;nitrous acid
CID 174524310
CID 174749882
CID 174749882
ethanol;niobium
CID 58943010
ethanol;dictahydrochloride
CID 173460827

Frequently Asked Questions

What is the IUPAC name of azane;ethane;ethanol;formaldehyde;propane?
The IUPAC name of azane;ethane;ethanol;formaldehyde;propane (CID 159875999) is azane;ethane;ethanol;formaldehyde;propane.
What is the SMILES notation for azane;ethane;ethanol;formaldehyde;propane?
The canonical SMILES for azane;ethane;ethanol;formaldehyde;propane is C=O.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCO.N.
What is the InChIKey of azane;ethane;ethanol;formaldehyde;propane?
The InChIKey is IQRXCSPJDACVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/8C3H8.C2H6O.5C2H6.CH2O.H3N/c8*1-3-2;1-2-3;6*1-2;/h8*3H2,1-2H3;3H,2H2,1H3;5*1-2H3;1H2;1H3.
What are the key properties of azane;ethane;ethanol;formaldehyde;propane?
azane;ethane;ethanol;formaldehyde;propane has a molecular weight of 596.25 g/mol, XLogP of 16.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;ethanol;formaldehyde;propane is sourced from PubChem (CID 159875999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).