3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H25NO — CID 65145951

IUPAC3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCC(C)CC1(O)CC2CCC(C1)N2
InChIInChI=1S/C13H25NO/c1-3-4-10(2)7-13(15)8-11-5-6-12(9-13)14-11/h10-12,14-15H,3-9H2,1-2H3
InChIKeyUUHRWAQYBSZNBR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65145951) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65145951
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCC(C)CC1(O)CC2CCC(C1)N2
InChIInChI=1S/C13H25NO/c1-3-4-10(2)7-13(15)8-11-5-6-12(9-13)14-11/h10-12,14-15H,3-9H2,1-2H3
InChIKeyUUHRWAQYBSZNBR-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65145951) is 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol is CCCC(C)CC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UUHRWAQYBSZNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-10(2)7-13(15)8-11-5-6-12(9-13)14-11/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65145951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).