2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol

C11H21NO — CID 130526368

IUPAC2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
SMILESCCC(CN)C1(O)CCCC2CC21
InChIInChI=1S/C11H21NO/c1-2-9(7-12)11(13)5-3-4-8-6-10(8)11/h8-10,13H,2-7,12H2,1H3
InChIKeyWRVIFFJMBMVGEU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.52
Rot. Bonds3

About 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol

2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol (PubChem CID 130526368) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
PubChem CID130526368
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
SMILESCCC(CN)C1(O)CCCC2CC21
InChIInChI=1S/C11H21NO/c1-2-9(7-12)11(13)5-3-4-8-6-10(8)11/h8-10,13H,2-7,12H2,1H3
InChIKeyWRVIFFJMBMVGEU-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.52
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[4.1.0]heptan-2-ol?
The IUPAC name of 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol (CID 130526368) is 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol is CCC(CN)C1(O)CCCC2CC21.
What is the InChIKey of 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol?
The InChIKey is WRVIFFJMBMVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-9(7-12)11(13)5-3-4-8-6-10(8)11/h8-10,13H,2-7,12H2,1H3.
What are the key properties of 2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol?
2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.52, 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[4.1.0]heptan-2-ol is sourced from PubChem (CID 130526368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).