(1-bicyclo[1.1.1]pentanylamino)methanol

C6H11NO — CID 149165180

IUPAC(1-bicyclo[1.1.1]pentanylamino)methanol
SMILESOCNC12CC(C1)C2
InChIInChI=1S/C6H11NO/c8-4-7-6-1-5(2-6)3-6/h5,7-8H,1-4H2
InChIKeyWXYYKPQISSYYAE-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.08
Rot. Bonds2

About (1-bicyclo[1.1.1]pentanylamino)methanol

(1-bicyclo[1.1.1]pentanylamino)methanol (PubChem CID 149165180) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1-bicyclo[1.1.1]pentanylamino)methanol.

Molecular Properties

Compound Name(1-bicyclo[1.1.1]pentanylamino)methanol
PubChem CID149165180
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1-bicyclo[1.1.1]pentanylamino)methanol
SMILESOCNC12CC(C1)C2
InChIInChI=1S/C6H11NO/c8-4-7-6-1-5(2-6)3-6/h5,7-8H,1-4H2
InChIKeyWXYYKPQISSYYAE-UHFFFAOYSA-N
XLogP0.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-bicyclo[1.1.1]pentanylamino)methanol?
The IUPAC name of (1-bicyclo[1.1.1]pentanylamino)methanol (CID 149165180) is (1-bicyclo[1.1.1]pentanylamino)methanol.
What is the SMILES notation for (1-bicyclo[1.1.1]pentanylamino)methanol?
The canonical SMILES for (1-bicyclo[1.1.1]pentanylamino)methanol is OCNC12CC(C1)C2.
What is the InChIKey of (1-bicyclo[1.1.1]pentanylamino)methanol?
The InChIKey is WXYYKPQISSYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-4-7-6-1-5(2-6)3-6/h5,7-8H,1-4H2.
What are the key properties of (1-bicyclo[1.1.1]pentanylamino)methanol?
(1-bicyclo[1.1.1]pentanylamino)methanol has a molecular weight of 113.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bicyclo[1.1.1]pentanylamino)methanol is sourced from PubChem (CID 149165180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).