3-(1-aminopropyl)adamantan-1-ol;hydrochloride

C13H24ClNO — CID 2828195

IUPAC3-(1-aminopropyl)adamantan-1-ol;hydrochloride
SMILESCCC(N)C12CC3CC(CC(O)(C3)C1)C2.Cl
InChIInChI=1S/C13H23NO.ClH/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12;/h9-11,15H,2-8,14H2,1H3;1H
InChIKeyRHYDWWORMNUPCI-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.48
Rot. Bonds2

About 3-(1-aminopropyl)adamantan-1-ol;hydrochloride

3-(1-aminopropyl)adamantan-1-ol;hydrochloride (PubChem CID 2828195) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 3-(1-aminopropyl)adamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(1-aminopropyl)adamantan-1-ol;hydrochloride
PubChem CID2828195
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name3-(1-aminopropyl)adamantan-1-ol;hydrochloride
SMILESCCC(N)C12CC3CC(CC(O)(C3)C1)C2.Cl
InChIInChI=1S/C13H23NO.ClH/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12;/h9-11,15H,2-8,14H2,1H3;1H
InChIKeyRHYDWWORMNUPCI-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)adamantan-1-ol;hydrochloride?
The IUPAC name of 3-(1-aminopropyl)adamantan-1-ol;hydrochloride (CID 2828195) is 3-(1-aminopropyl)adamantan-1-ol;hydrochloride.
What is the SMILES notation for 3-(1-aminopropyl)adamantan-1-ol;hydrochloride?
The canonical SMILES for 3-(1-aminopropyl)adamantan-1-ol;hydrochloride is CCC(N)C12CC3CC(CC(O)(C3)C1)C2.Cl.
What is the InChIKey of 3-(1-aminopropyl)adamantan-1-ol;hydrochloride?
The InChIKey is RHYDWWORMNUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12;/h9-11,15H,2-8,14H2,1H3;1H.
What are the key properties of 3-(1-aminopropyl)adamantan-1-ol;hydrochloride?
3-(1-aminopropyl)adamantan-1-ol;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)adamantan-1-ol;hydrochloride is sourced from PubChem (CID 2828195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).