6-azabicyclo[3.1.1]heptane;methanol

C7H15NO — CID 169176721

IUPAC6-azabicyclo[3.1.1]heptane;methanol
SMILESC1CC2CC(C1)N2.CO
InChIInChI=1S/C6H11N.CH4O/c1-2-5-4-6(3-1)7-5;1-2/h5-7H,1-4H2;2H,1H3
InChIKeyDHTRSXQWCPIVPA-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds

About 6-azabicyclo[3.1.1]heptane;methanol

6-azabicyclo[3.1.1]heptane;methanol (PubChem CID 169176721) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 6-azabicyclo[3.1.1]heptane;methanol.

Molecular Properties

Compound Name6-azabicyclo[3.1.1]heptane;methanol
PubChem CID169176721
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name6-azabicyclo[3.1.1]heptane;methanol
SMILESC1CC2CC(C1)N2.CO
InChIInChI=1S/C6H11N.CH4O/c1-2-5-4-6(3-1)7-5;1-2/h5-7H,1-4H2;2H,1H3
InChIKeyDHTRSXQWCPIVPA-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.1.1]heptane;methanol?
The IUPAC name of 6-azabicyclo[3.1.1]heptane;methanol (CID 169176721) is 6-azabicyclo[3.1.1]heptane;methanol.
What is the SMILES notation for 6-azabicyclo[3.1.1]heptane;methanol?
The canonical SMILES for 6-azabicyclo[3.1.1]heptane;methanol is C1CC2CC(C1)N2.CO.
What is the InChIKey of 6-azabicyclo[3.1.1]heptane;methanol?
The InChIKey is DHTRSXQWCPIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.CH4O/c1-2-5-4-6(3-1)7-5;1-2/h5-7H,1-4H2;2H,1H3.
What are the key properties of 6-azabicyclo[3.1.1]heptane;methanol?
6-azabicyclo[3.1.1]heptane;methanol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.1.1]heptane;methanol is sourced from PubChem (CID 169176721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).