azane;propane;hydrate

C12H37NO — CID 175902982

IUPACazane;propane;hydrate
SMILESCCC.CCC.CCC.CCC.N.O
InChIInChI=1S/4C3H8.H3N.H2O/c4*1-3-2;;/h4*3H2,1-2H3;1H3;1H2
InChIKeyMSHHNXOCJOBXJX-UHFFFAOYSA-N
MW211.43 g/mol
LogP5.00
Rot. Bonds

About azane;propane;hydrate

azane;propane;hydrate (PubChem CID 175902982) has the molecular formula C12H37NO and a molecular weight of 211.43 g/mol. Its IUPAC name is azane;propane;hydrate.

Molecular Properties

Compound Nameazane;propane;hydrate
PubChem CID175902982
Molecular FormulaC12H37NO
Molecular Weight211.43 g/mol
Exact Mass211.29
IUPAC Nameazane;propane;hydrate
SMILESCCC.CCC.CCC.CCC.N.O
InChIInChI=1S/4C3H8.H3N.H2O/c4*1-3-2;;/h4*3H2,1-2H3;1H3;1H2
InChIKeyMSHHNXOCJOBXJX-UHFFFAOYSA-N
XLogP5.00
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;propane;hydrate?
The IUPAC name of azane;propane;hydrate (CID 175902982) is azane;propane;hydrate.
What is the SMILES notation for azane;propane;hydrate?
The canonical SMILES for azane;propane;hydrate is CCC.CCC.CCC.CCC.N.O.
What is the InChIKey of azane;propane;hydrate?
The InChIKey is MSHHNXOCJOBXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H8.H3N.H2O/c4*1-3-2;;/h4*3H2,1-2H3;1H3;1H2.
What are the key properties of azane;propane;hydrate?
azane;propane;hydrate has a molecular weight of 211.43 g/mol, XLogP of 5.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propane;hydrate is sourced from PubChem (CID 175902982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).