butane;ethane;methanamine;hydrate

C7H23NO — CID 144914284

IUPACbutane;ethane;methanamine;hydrate
SMILESCC.CCCC.CN.O
InChIInChI=1S/C4H10.C2H6.CH5N.H2O/c1-3-4-2;2*1-2;/h3-4H2,1-2H3;1-2H3;2H2,1H3;1H2
InChIKeyHUYWPWJGJILUDB-UHFFFAOYSA-N
MW137.27 g/mol
LogP1.58
Rot. Bonds1

About butane;ethane;methanamine;hydrate

butane;ethane;methanamine;hydrate (PubChem CID 144914284) has the molecular formula C7H23NO and a molecular weight of 137.27 g/mol. Its IUPAC name is butane;ethane;methanamine;hydrate.

Molecular Properties

Compound Namebutane;ethane;methanamine;hydrate
PubChem CID144914284
Molecular FormulaC7H23NO
Molecular Weight137.27 g/mol
Exact Mass137.18
IUPAC Namebutane;ethane;methanamine;hydrate
SMILESCC.CCCC.CN.O
InChIInChI=1S/C4H10.C2H6.CH5N.H2O/c1-3-4-2;2*1-2;/h3-4H2,1-2H3;1-2H3;2H2,1H3;1H2
InChIKeyHUYWPWJGJILUDB-UHFFFAOYSA-N
XLogP1.58
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;methanamine;hydrate?
The IUPAC name of butane;ethane;methanamine;hydrate (CID 144914284) is butane;ethane;methanamine;hydrate.
What is the SMILES notation for butane;ethane;methanamine;hydrate?
The canonical SMILES for butane;ethane;methanamine;hydrate is CC.CCCC.CN.O.
What is the InChIKey of butane;ethane;methanamine;hydrate?
The InChIKey is HUYWPWJGJILUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H6.CH5N.H2O/c1-3-4-2;2*1-2;/h3-4H2,1-2H3;1-2H3;2H2,1H3;1H2.
What are the key properties of butane;ethane;methanamine;hydrate?
butane;ethane;methanamine;hydrate has a molecular weight of 137.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;methanamine;hydrate is sourced from PubChem (CID 144914284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).