2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol

C12H23NO — CID 130756587

IUPAC2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol
SMILESCCC(CN)C1(O)CC2CCC1CC2
InChIInChI=1S/C12H23NO/c1-2-10(8-13)12(14)7-9-3-5-11(12)6-4-9/h9-11,14H,2-8,13H2,1H3
InChIKeyQJWVVCBXOJJOKU-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol

2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol (PubChem CID 130756587) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol
PubChem CID130756587
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol
SMILESCCC(CN)C1(O)CC2CCC1CC2
InChIInChI=1S/C12H23NO/c1-2-10(8-13)12(14)7-9-3-5-11(12)6-4-9/h9-11,14H,2-8,13H2,1H3
InChIKeyQJWVVCBXOJJOKU-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol?
The IUPAC name of 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol (CID 130756587) is 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol is CCC(CN)C1(O)CC2CCC1CC2.
What is the InChIKey of 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol?
The InChIKey is QJWVVCBXOJJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-10(8-13)12(14)7-9-3-5-11(12)6-4-9/h9-11,14H,2-8,13H2,1H3.
What are the key properties of 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol?
2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 130756587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).