3-(2-adamantylamino)propane-1,2-diol

C13H23NO2 — CID 60654276

IUPAC3-(2-adamantylamino)propane-1,2-diol
SMILESOCC(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO2/c15-7-12(16)6-14-13-10-2-8-1-9(4-10)5-11(13)3-8/h8-16H,1-7H2
InChIKeyCORQDPHUQMEECM-UHFFFAOYSA-N
MW225.33 g/mol
LogP0.75
Rot. Bonds4

About 3-(2-adamantylamino)propane-1,2-diol

3-(2-adamantylamino)propane-1,2-diol (PubChem CID 60654276) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-(2-adamantylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-adamantylamino)propane-1,2-diol
PubChem CID60654276
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-(2-adamantylamino)propane-1,2-diol
SMILESOCC(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO2/c15-7-12(16)6-14-13-10-2-8-1-9(4-10)5-11(13)3-8/h8-16H,1-7H2
InChIKeyCORQDPHUQMEECM-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantylamino)propane-1,2-diol?
The IUPAC name of 3-(2-adamantylamino)propane-1,2-diol (CID 60654276) is 3-(2-adamantylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2-adamantylamino)propane-1,2-diol?
The canonical SMILES for 3-(2-adamantylamino)propane-1,2-diol is OCC(O)CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-(2-adamantylamino)propane-1,2-diol?
The InChIKey is CORQDPHUQMEECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-7-12(16)6-14-13-10-2-8-1-9(4-10)5-11(13)3-8/h8-16H,1-7H2.
What are the key properties of 3-(2-adamantylamino)propane-1,2-diol?
3-(2-adamantylamino)propane-1,2-diol has a molecular weight of 225.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantylamino)propane-1,2-diol is sourced from PubChem (CID 60654276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).