2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane

C20H43NO2 — CID 142590810

IUPAC2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
SMILESCC.CCCN(CCC)CCOC(=O)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C18H37NO2.C2H6/c1-8-10-19(11-9-2)12-13-21-17(20)18(7,16(5)6)14-15(3)4;1-2/h15-16H,8-14H2,1-7H3;1-2H3
InChIKeyJGGYOVWRDJYPFH-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.39
Rot. Bonds11

About 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane

2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane (PubChem CID 142590810) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane.

Molecular Properties

Compound Name2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
PubChem CID142590810
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
SMILESCC.CCCN(CCC)CCOC(=O)C(C)(CC(C)C)C(C)C
InChIInChI=1S/C18H37NO2.C2H6/c1-8-10-19(11-9-2)12-13-21-17(20)18(7,16(5)6)14-15(3)4;1-2/h15-16H,8-14H2,1-7H3;1-2H3
InChIKeyJGGYOVWRDJYPFH-UHFFFAOYSA-N
XLogP5.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 118568248
2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88569261
2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate
CID 144974044
ethane;2-[ethyl(propyl)amino]ethyl 2-ethyl-2,4-dimethylpentanoate
CID 142590813
2-dihydroxyphosphanyloxyethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 123158747
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
2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
CID 10406675
2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane
CID 142590782
2,2,3,3,4,4,4-heptafluorobutyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88580459

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane?
The IUPAC name of 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane (CID 142590810) is 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane.
What is the SMILES notation for 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane?
The canonical SMILES for 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane is CC.CCCN(CCC)CCOC(=O)C(C)(CC(C)C)C(C)C.
What is the InChIKey of 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane?
The InChIKey is JGGYOVWRDJYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.C2H6/c1-8-10-19(11-9-2)12-13-21-17(20)18(7,16(5)6)14-15(3)4;1-2/h15-16H,8-14H2,1-7H3;1-2H3.
What are the key properties of 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane?
2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane has a molecular weight of 329.57 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane is sourced from PubChem (CID 142590810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).