ethane;1-(methylaminomethyl)cyclobutan-1-ol

C8H19NO — CID 145406840

IUPACethane;1-(methylaminomethyl)cyclobutan-1-ol
SMILESCC.CNCC1(O)CCC1
InChIInChI=1S/C6H13NO.C2H6/c1-7-5-6(8)3-2-4-6;1-2/h7-8H,2-5H2,1H3;1-2H3
InChIKeyXSWXCVGCTBSDLL-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.15
Rot. Bonds2

About ethane;1-(methylaminomethyl)cyclobutan-1-ol

ethane;1-(methylaminomethyl)cyclobutan-1-ol (PubChem CID 145406840) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;1-(methylaminomethyl)cyclobutan-1-ol.

Molecular Properties

Compound Nameethane;1-(methylaminomethyl)cyclobutan-1-ol
PubChem CID145406840
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;1-(methylaminomethyl)cyclobutan-1-ol
SMILESCC.CNCC1(O)CCC1
InChIInChI=1S/C6H13NO.C2H6/c1-7-5-6(8)3-2-4-6;1-2/h7-8H,2-5H2,1H3;1-2H3
InChIKeyXSWXCVGCTBSDLL-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(methylaminomethyl)cyclobutan-1-ol?
The IUPAC name of ethane;1-(methylaminomethyl)cyclobutan-1-ol (CID 145406840) is ethane;1-(methylaminomethyl)cyclobutan-1-ol.
What is the SMILES notation for ethane;1-(methylaminomethyl)cyclobutan-1-ol?
The canonical SMILES for ethane;1-(methylaminomethyl)cyclobutan-1-ol is CC.CNCC1(O)CCC1.
What is the InChIKey of ethane;1-(methylaminomethyl)cyclobutan-1-ol?
The InChIKey is XSWXCVGCTBSDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-7-5-6(8)3-2-4-6;1-2/h7-8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-(methylaminomethyl)cyclobutan-1-ol?
ethane;1-(methylaminomethyl)cyclobutan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methylaminomethyl)cyclobutan-1-ol is sourced from PubChem (CID 145406840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).