2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride

C13H24ClNO2 — CID 6603432

IUPAC2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride
SMILESCl.OCCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO2.ClH/c15-2-1-14-8-13(16)11-4-9-3-10(6-11)7-12(13)5-9;/h9-12,14-16H,1-8H2;1H
InChIKeySMVCGGWTTQEKHE-UHFFFAOYSA-N
MW261.79 g/mol
LogP1.18
Rot. Bonds4

About 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride

2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride (PubChem CID 6603432) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride
PubChem CID6603432
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride
SMILESCl.OCCNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23NO2.ClH/c15-2-1-14-8-13(16)11-4-9-3-10(6-11)7-12(13)5-9;/h9-12,14-16H,1-8H2;1H
InChIKeySMVCGGWTTQEKHE-UHFFFAOYSA-N
XLogP1.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride?
The IUPAC name of 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride (CID 6603432) is 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride.
What is the SMILES notation for 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride?
The canonical SMILES for 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride is Cl.OCCNCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride?
The InChIKey is SMVCGGWTTQEKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.ClH/c15-2-1-14-8-13(16)11-4-9-3-10(6-11)7-12(13)5-9;/h9-12,14-16H,1-8H2;1H.
What are the key properties of 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride?
2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride has a molecular weight of 261.79 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyethylamino)methyl]adamantan-2-ol;hydrochloride is sourced from PubChem (CID 6603432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).