1-(2-adamantylamino)propan-1-ol

C13H23NO — CID 138961432

IUPAC1-(2-adamantylamino)propan-1-ol
SMILESCCC(O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO/c1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-15H,2-7H2,1H3
InChIKeyOHCFJRSPOCMEPC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-adamantylamino)propan-1-ol

1-(2-adamantylamino)propan-1-ol (PubChem CID 138961432) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2-adamantylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2-adamantylamino)propan-1-ol
PubChem CID138961432
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2-adamantylamino)propan-1-ol
SMILESCCC(O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO/c1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-15H,2-7H2,1H3
InChIKeyOHCFJRSPOCMEPC-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.13
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-(2-adamantylamino)propan-1-ol?
The IUPAC name of 1-(2-adamantylamino)propan-1-ol (CID 138961432) is 1-(2-adamantylamino)propan-1-ol.
What is the SMILES notation for 1-(2-adamantylamino)propan-1-ol?
The canonical SMILES for 1-(2-adamantylamino)propan-1-ol is CCC(O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantylamino)propan-1-ol?
The InChIKey is OHCFJRSPOCMEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-15H,2-7H2,1H3.
What are the key properties of 1-(2-adamantylamino)propan-1-ol?
1-(2-adamantylamino)propan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantylamino)propan-1-ol is sourced from PubChem (CID 138961432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).