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

C13H23NO — CID 166559217

IUPAC1-(1-adamantylamino)propan-1-ol
SMILESCCC(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-2-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14-15H,2-8H2,1H3
InChIKeyGNAOIZJZZRCDNQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.27
Rot. Bonds3

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

1-(1-adamantylamino)propan-1-ol (PubChem CID 166559217) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-adamantylamino)propan-1-ol.

Molecular Properties

Compound Name1-(1-adamantylamino)propan-1-ol
PubChem CID166559217
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-adamantylamino)propan-1-ol
SMILESCCC(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-2-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14-15H,2-8H2,1H3
InChIKeyGNAOIZJZZRCDNQ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-(1-adamantylamino)propan-1-ol?
The IUPAC name of 1-(1-adamantylamino)propan-1-ol (CID 166559217) is 1-(1-adamantylamino)propan-1-ol.
What is the SMILES notation for 1-(1-adamantylamino)propan-1-ol?
The canonical SMILES for 1-(1-adamantylamino)propan-1-ol is CCC(O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylamino)propan-1-ol?
The InChIKey is GNAOIZJZZRCDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14-15H,2-8H2,1H3.
What are the key properties of 1-(1-adamantylamino)propan-1-ol?
1-(1-adamantylamino)propan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylamino)propan-1-ol is sourced from PubChem (CID 166559217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).