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

C13H24ClNO — CID 139785547

IUPAC1-(2-adamantylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H23NO.ClH/c1-8(15)7-14-13-11-3-9-2-10(5-11)6-12(13)4-9;/h8-15H,2-7H2,1H3;1H
InChIKeyTWRKYVGVKHASCY-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.20
Rot. Bonds3

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

1-(2-adamantylamino)propan-2-ol;hydrochloride (PubChem CID 139785547) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 1-(2-adamantylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-adamantylamino)propan-2-ol;hydrochloride
PubChem CID139785547
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name1-(2-adamantylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H23NO.ClH/c1-8(15)7-14-13-11-3-9-2-10(5-11)6-12(13)4-9;/h8-15H,2-7H2,1H3;1H
InChIKeyTWRKYVGVKHASCY-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-adamantylamino)propan-2-ol;hydrochloride (CID 139785547) is 1-(2-adamantylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-adamantylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-adamantylamino)propan-2-ol;hydrochloride is CC(O)CNC1C2CC3CC(C2)CC1C3.Cl.
What is the InChIKey of 1-(2-adamantylamino)propan-2-ol;hydrochloride?
The InChIKey is TWRKYVGVKHASCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c1-8(15)7-14-13-11-3-9-2-10(5-11)6-12(13)4-9;/h8-15H,2-7H2,1H3;1H.
What are the key properties of 1-(2-adamantylamino)propan-2-ol;hydrochloride?
1-(2-adamantylamino)propan-2-ol;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.20, 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-2-ol;hydrochloride is sourced from PubChem (CID 139785547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).