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

C13H24ClNO — CID 138961436

IUPAC1-(2-adamantylamino)propan-1-ol;hydrochloride
SMILESCCC(O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H23NO.ClH/c1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8;/h8-15H,2-7H2,1H3;1H
InChIKeyQHRBMEJHNSUUTC-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.55
Rot. Bonds3

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

1-(2-adamantylamino)propan-1-ol;hydrochloride (PubChem CID 138961436) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 1-(2-adamantylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-adamantylamino)propan-1-ol;hydrochloride
PubChem CID138961436
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name1-(2-adamantylamino)propan-1-ol;hydrochloride
SMILESCCC(O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H23NO.ClH/c1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8;/h8-15H,2-7H2,1H3;1H
InChIKeyQHRBMEJHNSUUTC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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;hydrochloride?
The IUPAC name of 1-(2-adamantylamino)propan-1-ol;hydrochloride (CID 138961436) is 1-(2-adamantylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(2-adamantylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 1-(2-adamantylamino)propan-1-ol;hydrochloride is CCC(O)NC1C2CC3CC(C2)CC1C3.Cl.
What is the InChIKey of 1-(2-adamantylamino)propan-1-ol;hydrochloride?
The InChIKey is QHRBMEJHNSUUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8;/h8-15H,2-7H2,1H3;1H.
What are the key properties of 1-(2-adamantylamino)propan-1-ol;hydrochloride?
1-(2-adamantylamino)propan-1-ol;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.55, 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;hydrochloride is sourced from PubChem (CID 138961436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).