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

C11H20ClNO — CID 2835848

IUPAC3-(aminomethyl)adamantan-1-ol;hydrochloride
SMILESCl.NCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C11H19NO.ClH/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10;/h8-9,13H,1-7,12H2;1H
InChIKeyFELRDAQSQLZIHE-UHFFFAOYSA-N
MW217.74 g/mol
LogP1.70
Rot. Bonds1

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

3-(aminomethyl)adamantan-1-ol;hydrochloride (PubChem CID 2835848) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-(aminomethyl)adamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)adamantan-1-ol;hydrochloride
PubChem CID2835848
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-(aminomethyl)adamantan-1-ol;hydrochloride
SMILESCl.NCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C11H19NO.ClH/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10;/h8-9,13H,1-7,12H2;1H
InChIKeyFELRDAQSQLZIHE-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)adamantan-1-ol;hydrochloride?
The IUPAC name of 3-(aminomethyl)adamantan-1-ol;hydrochloride (CID 2835848) is 3-(aminomethyl)adamantan-1-ol;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)adamantan-1-ol;hydrochloride?
The canonical SMILES for 3-(aminomethyl)adamantan-1-ol;hydrochloride is Cl.NCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-(aminomethyl)adamantan-1-ol;hydrochloride?
The InChIKey is FELRDAQSQLZIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10;/h8-9,13H,1-7,12H2;1H.
What are the key properties of 3-(aminomethyl)adamantan-1-ol;hydrochloride?
3-(aminomethyl)adamantan-1-ol;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)adamantan-1-ol;hydrochloride is sourced from PubChem (CID 2835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).