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

C12H22ClNO — CID 2769977

IUPAC3-(1-aminoethyl)adamantan-1-ol;hydrochloride
SMILESCC(N)C12CC3CC(CC(O)(C3)C1)C2.Cl
InChIInChI=1S/C12H21NO.ClH/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11;/h8-10,14H,2-7,13H2,1H3;1H
InChIKeyUXMQOOWYJIKUKR-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.09
Rot. Bonds1

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

3-(1-aminoethyl)adamantan-1-ol;hydrochloride (PubChem CID 2769977) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-(1-aminoethyl)adamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(1-aminoethyl)adamantan-1-ol;hydrochloride
PubChem CID2769977
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-(1-aminoethyl)adamantan-1-ol;hydrochloride
SMILESCC(N)C12CC3CC(CC(O)(C3)C1)C2.Cl
InChIInChI=1S/C12H21NO.ClH/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11;/h8-10,14H,2-7,13H2,1H3;1H
InChIKeyUXMQOOWYJIKUKR-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)adamantan-1-ol;hydrochloride?
The IUPAC name of 3-(1-aminoethyl)adamantan-1-ol;hydrochloride (CID 2769977) is 3-(1-aminoethyl)adamantan-1-ol;hydrochloride.
What is the SMILES notation for 3-(1-aminoethyl)adamantan-1-ol;hydrochloride?
The canonical SMILES for 3-(1-aminoethyl)adamantan-1-ol;hydrochloride is CC(N)C12CC3CC(CC(O)(C3)C1)C2.Cl.
What is the InChIKey of 3-(1-aminoethyl)adamantan-1-ol;hydrochloride?
The InChIKey is UXMQOOWYJIKUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11;/h8-10,14H,2-7,13H2,1H3;1H.
What are the key properties of 3-(1-aminoethyl)adamantan-1-ol;hydrochloride?
3-(1-aminoethyl)adamantan-1-ol;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)adamantan-1-ol;hydrochloride is sourced from PubChem (CID 2769977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).