2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride

C17H34ClNO2 — CID 3051020

IUPAC2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride
SMILESCCCCC(C(=O)OCCN(CC)CC)C1CCCC1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3;/h15-16H,4-14H2,1-3H3;1H
InChIKeyZQXIFCXDUMTEIK-UHFFFAOYSA-N
MW319.92 g/mol
LogP4.29
Rot. Bonds10

About 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride

2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride (PubChem CID 3051020) has the molecular formula C17H34ClNO2 and a molecular weight of 319.92 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride
PubChem CID3051020
Molecular FormulaC17H34ClNO2
Molecular Weight319.92 g/mol
Exact Mass319.23
IUPAC Name2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride
SMILESCCCCC(C(=O)OCCN(CC)CC)C1CCCC1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3;/h15-16H,4-14H2,1-3H3;1H
InChIKeyZQXIFCXDUMTEIK-UHFFFAOYSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.92
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutylhexanoic acid
CID 102568246
2-cyclopentyltridecanoic acid
CID 22665117
2-cyclohexyldecanoic acid
CID 19004831
(2S)-2-cyclobutylheptanoic acid
CID 99988049
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637
2-(diethylamino)ethyl pentanoate
CID 14795466
2-(diethylamino)ethyl 2-propylsulfanylpentanoate
CID 3052725
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
1-O-butyl 3-O-(1-cyclohexylethyl) 2-butylpropanedioate
CID 174872844
2-cyclohexyl-12-hydroxyoctadecanamide
CID 174957428
2-(diethylamino)ethyl 1-cyclohexylcyclopentane-1-carboxylate
CID 3056672

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride (CID 3051020) is 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride is CCCCC(C(=O)OCCN(CC)CC)C1CCCC1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride?
The InChIKey is ZQXIFCXDUMTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2.ClH/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3;/h15-16H,4-14H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride?
2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride has a molecular weight of 319.92 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-cyclopentylhexanoate;hydrochloride is sourced from PubChem (CID 3051020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).