2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol

C13H25NO — CID 62265643

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-3-6-13(2,10-15)9-14-8-11-4-5-12(14)7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyBRAFKEYLPHZIQQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol (PubChem CID 62265643) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
PubChem CID62265643
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-3-6-13(2,10-15)9-14-8-11-4-5-12(14)7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyBRAFKEYLPHZIQQ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol (CID 62265643) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol is CCCC(C)(CO)CN1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol?
The InChIKey is BRAFKEYLPHZIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-6-13(2,10-15)9-14-8-11-4-5-12(14)7-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol is sourced from PubChem (CID 62265643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).