2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride

C18H32ClNO2 — CID 2836025

IUPAC2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride
SMILESCN(C)CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C18H31NO2.ClH/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)14(20)21-7-6-19(4)5;/h6-13H2,1-5H3;1H
InChIKeyPRCFJHACGOBSDT-UHFFFAOYSA-N
MW329.91 g/mol
LogP3.90
Rot. Bonds4

About 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride

2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride (PubChem CID 2836025) has the molecular formula C18H32ClNO2 and a molecular weight of 329.91 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride
PubChem CID2836025
Molecular FormulaC18H32ClNO2
Molecular Weight329.91 g/mol
Exact Mass329.21
IUPAC Name2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride
SMILESCN(C)CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C18H31NO2.ClH/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)14(20)21-7-6-19(4)5;/h6-13H2,1-5H3;1H
InChIKeyPRCFJHACGOBSDT-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.91
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride (CID 2836025) is 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride is CN(C)CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride?
The InChIKey is PRCFJHACGOBSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2.ClH/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)14(20)21-7-6-19(4)5;/h6-13H2,1-5H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride?
2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride has a molecular weight of 329.91 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3,5,7-trimethyladamantane-1-carboxylate;hydrochloride is sourced from PubChem (CID 2836025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).