N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride

C19H35ClN2O — CID 2850702

IUPACN-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-5-21(6-2)8-7-20-16(22)19-11-15-9-17(3,13-19)12-18(4,10-15)14-19;/h15H,5-14H2,1-4H3,(H,20,22);1H
InChIKeyJXQIUXABDOUMTK-UHFFFAOYSA-N
MW342.96 g/mol
LogP3.86
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride (PubChem CID 2850702) has the molecular formula C19H35ClN2O and a molecular weight of 342.96 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride
PubChem CID2850702
Molecular FormulaC19H35ClN2O
Molecular Weight342.96 g/mol
Exact Mass342.24
IUPAC NameN-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-5-21(6-2)8-7-20-16(22)19-11-15-9-17(3,13-19)12-18(4,10-15)14-19;/h15H,5-14H2,1-4H3,(H,20,22);1H
InChIKeyJXQIUXABDOUMTK-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.96
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride (CID 2850702) is N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride is CCN(CC)CCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride?
The InChIKey is JXQIUXABDOUMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O.ClH/c1-5-21(6-2)8-7-20-16(22)19-11-15-9-17(3,13-19)12-18(4,10-15)14-19;/h15H,5-14H2,1-4H3,(H,20,22);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride has a molecular weight of 342.96 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3,5-dimethyladamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 2850702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).