2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate

C17H35NO2 — CID 118568248

IUPAC2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCCCN(CC)CCOC(=O)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C17H35NO2/c1-8-10-18(9-2)11-12-20-16(19)17(7,15(5)6)13-14(3)4/h14-15H,8-13H2,1-7H3
InChIKeyNDDSGQXXKIUFQL-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.97
Rot. Bonds10

About 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate

2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 118568248) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID118568248
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCCCN(CC)CCOC(=O)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C17H35NO2/c1-8-10-18(9-2)11-12-20-16(19)17(7,15(5)6)13-14(3)4/h14-15H,8-13H2,1-7H3
InChIKeyNDDSGQXXKIUFQL-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
CID 142590810
ethane;2-[ethyl(propyl)amino]ethyl 2-ethyl-2,4-dimethylpentanoate
CID 142590813
2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88569261
2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate
CID 144974044
2-dihydroxyphosphanyloxyethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 123158747
2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
CID 10406675
2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
CID 20833921
2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
CID 162508851
2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 90329075
2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate
CID 137436474
(2-hydroxy-4-methylpentyl) 2,4-dimethyl-2-propan-2-ylpentanoate
CID 167328919
2-[4-[(2S)-2,4-dimethyl-2-propan-2-ylpentanoyl]oxybutoxy]-1,1-difluoro-2-oxoethanesulfonic acid
CID 163802492

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 118568248) is 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate is CCCN(CC)CCOC(=O)C(C)(CC(C)C)C(C)C.
What is the InChIKey of 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is NDDSGQXXKIUFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-8-10-18(9-2)11-12-20-16(19)17(7,15(5)6)13-14(3)4/h14-15H,8-13H2,1-7H3.
What are the key properties of 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 285.47 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 118568248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).