ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride

C14H26FN — CID 143373746

IUPACethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride
SMILESCC.CC(C)C1=C(CN)C2CC2CC=C1.F
InChIInChI=1S/C12H19N.C2H6.FH/c1-8(2)10-5-3-4-9-6-11(9)12(10)7-13;1-2;/h3,5,8-9,11H,4,6-7,13H2,1-2H3;1-2H3;1H
InChIKeyUIMFCFZVNRJGNO-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.67
Rot. Bonds2

About ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride

ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride (PubChem CID 143373746) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride.

Molecular Properties

Compound Nameethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride
PubChem CID143373746
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Nameethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride
SMILESCC.CC(C)C1=C(CN)C2CC2CC=C1.F
InChIInChI=1S/C12H19N.C2H6.FH/c1-8(2)10-5-3-4-9-6-11(9)12(10)7-13;1-2;/h3,5,8-9,11H,4,6-7,13H2,1-2H3;1-2H3;1H
InChIKeyUIMFCFZVNRJGNO-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride?
The IUPAC name of ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride (CID 143373746) is ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride.
What is the SMILES notation for ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride?
The canonical SMILES for ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride is CC.CC(C)C1=C(CN)C2CC2CC=C1.F.
What is the InChIKey of ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride?
The InChIKey is UIMFCFZVNRJGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C2H6.FH/c1-8(2)10-5-3-4-9-6-11(9)12(10)7-13;1-2;/h3,5,8-9,11H,4,6-7,13H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride?
ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride has a molecular weight of 227.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride is sourced from PubChem (CID 143373746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).