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

C13H24ClNO — CID 24721679

IUPAC1-(1-adamantylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23NO.ClH/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;1H
InChIKeyHZZGNTNKPVJDTO-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.35
Rot. Bonds3

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

1-(1-adamantylamino)propan-2-ol;hydrochloride (PubChem CID 24721679) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 1-(1-adamantylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantylamino)propan-2-ol;hydrochloride
PubChem CID24721679
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name1-(1-adamantylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23NO.ClH/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;1H
InChIKeyHZZGNTNKPVJDTO-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.35
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;hydrochloride?
The IUPAC name of 1-(1-adamantylamino)propan-2-ol;hydrochloride (CID 24721679) is 1-(1-adamantylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-adamantylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-adamantylamino)propan-2-ol;hydrochloride is CC(O)CNC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantylamino)propan-2-ol;hydrochloride?
The InChIKey is HZZGNTNKPVJDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/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;1H.
What are the key properties of 1-(1-adamantylamino)propan-2-ol;hydrochloride?
1-(1-adamantylamino)propan-2-ol;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.35, 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;hydrochloride is sourced from PubChem (CID 24721679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).