8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H21NO — CID 171952463

IUPAC8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(C)CC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-9(2)6-12(14)7-10-4-5-11(8-12)13(10)3/h10-11,14H,1,4-8H2,2-3H3
InChIKeyYGEONAJRXOFFJA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds2

About 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952463) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952463
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(C)CC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO/c1-9(2)6-12(14)7-10-4-5-11(8-12)13(10)3/h10-11,14H,1,4-8H2,2-3H3
InChIKeyYGEONAJRXOFFJA-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171952463) is 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is C=C(C)CC1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YGEONAJRXOFFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)6-12(14)7-10-4-5-11(8-12)13(10)3/h10-11,14H,1,4-8H2,2-3H3.
What are the key properties of 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).