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

C13H23NO — CID 4240030

IUPAC1-(1-adamantylamino)propan-2-ol
SMILESCC(O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-9(15)8-14-13-5-10-2-11(6-13)4-12(3-10)7-13/h9-12,14-15H,2-8H2,1H3
InChIKeyBTGYFMZRCNIJRW-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.93
Rot. Bonds3

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

1-(1-adamantylamino)propan-2-ol (PubChem CID 4240030) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-adamantylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-adamantylamino)propan-2-ol
PubChem CID4240030
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-adamantylamino)propan-2-ol
SMILESCC(O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-9(15)8-14-13-5-10-2-11(6-13)4-12(3-10)7-13/h9-12,14-15H,2-8H2,1H3
InChIKeyBTGYFMZRCNIJRW-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylamino)propan-2-ol?
The IUPAC name of 1-(1-adamantylamino)propan-2-ol (CID 4240030) is 1-(1-adamantylamino)propan-2-ol.
What is the SMILES notation for 1-(1-adamantylamino)propan-2-ol?
The canonical SMILES for 1-(1-adamantylamino)propan-2-ol is CC(O)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylamino)propan-2-ol?
The InChIKey is BTGYFMZRCNIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(15)8-14-13-5-10-2-11(6-13)4-12(3-10)7-13/h9-12,14-15H,2-8H2,1H3.
What are the key properties of 1-(1-adamantylamino)propan-2-ol?
1-(1-adamantylamino)propan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 1.93, 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-2-ol is sourced from PubChem (CID 4240030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).