3-amino-6-methylbicyclo[2.2.1]heptan-2-ol

C8H15NO — CID 20804981

IUPAC3-amino-6-methylbicyclo[2.2.1]heptan-2-ol
SMILESCC1CC2CC1C(O)C2N
InChIInChI=1S/C8H15NO/c1-4-2-5-3-6(4)8(10)7(5)9/h4-8,10H,2-3,9H2,1H3
InChIKeyVBPHPQGCNCEFRW-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.35
Rot. Bonds

About 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol

3-amino-6-methylbicyclo[2.2.1]heptan-2-ol (PubChem CID 20804981) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-amino-6-methylbicyclo[2.2.1]heptan-2-ol
PubChem CID20804981
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-amino-6-methylbicyclo[2.2.1]heptan-2-ol
SMILESCC1CC2CC1C(O)C2N
InChIInChI=1S/C8H15NO/c1-4-2-5-3-6(4)8(10)7(5)9/h4-8,10H,2-3,9H2,1H3
InChIKeyVBPHPQGCNCEFRW-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol (CID 20804981) is 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol is CC1CC2CC1C(O)C2N.
What is the InChIKey of 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is VBPHPQGCNCEFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-2-5-3-6(4)8(10)7(5)9/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol?
3-amino-6-methylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 20804981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).