3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol

C11H21NO — CID 130921043

IUPAC3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol
SMILESCC(O)C(C)NC1CCCC2CC21
InChIInChI=1S/C11H21NO/c1-7(8(2)13)12-11-5-3-4-9-6-10(9)11/h7-13H,3-6H2,1-2H3
InChIKeyUPHJAJKXWAVTGW-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.53
Rot. Bonds3

About 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol

3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol (PubChem CID 130921043) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol.

Molecular Properties

Compound Name3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol
PubChem CID130921043
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol
SMILESCC(O)C(C)NC1CCCC2CC21
InChIInChI=1S/C11H21NO/c1-7(8(2)13)12-11-5-3-4-9-6-10(9)11/h7-13H,3-6H2,1-2H3
InChIKeyUPHJAJKXWAVTGW-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol?
The IUPAC name of 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol (CID 130921043) is 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol.
What is the SMILES notation for 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol?
The canonical SMILES for 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol is CC(O)C(C)NC1CCCC2CC21.
What is the InChIKey of 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol?
The InChIKey is UPHJAJKXWAVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7(8(2)13)12-11-5-3-4-9-6-10(9)11/h7-13H,3-6H2,1-2H3.
What are the key properties of 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol?
3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol is sourced from PubChem (CID 130921043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).