2-(aminomethyl)adamantan-2-ol;hydrochloride

C11H20ClNO — CID 24721177

IUPAC2-(aminomethyl)adamantan-2-ol;hydrochloride
SMILESCl.NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19NO.ClH/c12-6-11(13)9-2-7-1-8(4-9)5-10(11)3-7;/h7-10,13H,1-6,12H2;1H
InChIKeyASYQDKCUABLROB-UHFFFAOYSA-N
MW217.74 g/mol
LogP1.55
Rot. Bonds1

About 2-(aminomethyl)adamantan-2-ol;hydrochloride

2-(aminomethyl)adamantan-2-ol;hydrochloride (PubChem CID 24721177) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-(aminomethyl)adamantan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)adamantan-2-ol;hydrochloride
PubChem CID24721177
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-(aminomethyl)adamantan-2-ol;hydrochloride
SMILESCl.NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19NO.ClH/c12-6-11(13)9-2-7-1-8(4-9)5-10(11)3-7;/h7-10,13H,1-6,12H2;1H
InChIKeyASYQDKCUABLROB-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)adamantan-2-ol;hydrochloride?
The IUPAC name of 2-(aminomethyl)adamantan-2-ol;hydrochloride (CID 24721177) is 2-(aminomethyl)adamantan-2-ol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)adamantan-2-ol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)adamantan-2-ol;hydrochloride is Cl.NCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(aminomethyl)adamantan-2-ol;hydrochloride?
The InChIKey is ASYQDKCUABLROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c12-6-11(13)9-2-7-1-8(4-9)5-10(11)3-7;/h7-10,13H,1-6,12H2;1H.
What are the key properties of 2-(aminomethyl)adamantan-2-ol;hydrochloride?
2-(aminomethyl)adamantan-2-ol;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)adamantan-2-ol;hydrochloride is sourced from PubChem (CID 24721177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).