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

C12H21NO — CID 66039258

IUPAC8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(CC)CN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO/c1-3-9(2)8-13-10-4-5-11(13)7-12(14)6-10/h10-12,14H,2-8H2,1H3
InChIKeyVFRBRXPLQMKLHR-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds3

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

8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 66039258) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID66039258
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(CC)CN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO/c1-3-9(2)8-13-10-4-5-11(13)7-12(14)6-10/h10-12,14H,2-8H2,1H3
InChIKeyVFRBRXPLQMKLHR-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 66039258) is 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol is C=C(CC)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VFRBRXPLQMKLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-9(2)8-13-10-4-5-11(13)7-12(14)6-10/h10-12,14H,2-8H2,1H3.
What are the key properties of 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 66039258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).