(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol

C11H22NO+ — CID 15519938

IUPAC(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C11H22NO/c1-8(2)12(3)9-4-5-10(12)7-11(13)6-9/h8-11,13H,4-7H2,1-3H3/q+1/t9-,10+,11?,12?
InChIKeyXSZIVSVHZCXNSB-ZYANWLCNSA-N
MW184.30 g/mol
LogP1.53
Rot. Bonds1

About (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol

(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol (PubChem CID 15519938) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol
PubChem CID15519938
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol
SMILESCC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C11H22NO/c1-8(2)12(3)9-4-5-10(12)7-11(13)6-9/h8-11,13H,4-7H2,1-3H3/q+1/t9-,10+,11?,12?
InChIKeyXSZIVSVHZCXNSB-ZYANWLCNSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol (CID 15519938) is (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol is CC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
The InChIKey is XSZIVSVHZCXNSB-ZYANWLCNSA-N. The full InChI is InChI=1S/C11H22NO/c1-8(2)12(3)9-4-5-10(12)7-11(13)6-9/h8-11,13H,4-7H2,1-3H3/q+1/t9-,10+,11?,12?.
What are the key properties of (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol has a molecular weight of 184.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 15519938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).