1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride

C19H36ClNO2 — CID 2769759

IUPAC1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COCCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-3-20(4-2)13-18(21)14-22-6-5-19-10-15-7-16(11-19)9-17(8-15)12-19;/h15-18,21H,3-14H2,1-2H3;1H
InChIKeyRUKPWJPQUMVVFV-UHFFFAOYSA-N
MW345.96 g/mol
LogP3.73
Rot. Bonds9

About 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride

1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride (PubChem CID 2769759) has the molecular formula C19H36ClNO2 and a molecular weight of 345.96 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride
PubChem CID2769759
Molecular FormulaC19H36ClNO2
Molecular Weight345.96 g/mol
Exact Mass345.24
IUPAC Name1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COCCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H35NO2.ClH/c1-3-20(4-2)13-18(21)14-22-6-5-19-10-15-7-16(11-19)9-17(8-15)12-19;/h15-18,21H,3-14H2,1-2H3;1H
InChIKeyRUKPWJPQUMVVFV-UHFFFAOYSA-N
XLogP3.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.96
LogP ≤ 53.73
H-Bond Donors ≤ 51
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 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride (CID 2769759) is 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride is CCN(CC)CC(O)COCCC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride?
The InChIKey is RUKPWJPQUMVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)13-18(21)14-22-6-5-19-10-15-7-16(11-19)9-17(8-15)12-19;/h15-18,21H,3-14H2,1-2H3;1H.
What are the key properties of 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride?
1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride has a molecular weight of 345.96 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethoxy]-3-(diethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2769759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).