2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane

C20H43NO2 — CID 142590782

IUPAC2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane
SMILESCC.CCCC(C)(C(=O)OCCN(C(C)C)C(C)C)C(C)CC
InChIInChI=1S/C18H37NO2.C2H6/c1-9-11-18(8,16(7)10-2)17(20)21-13-12-19(14(3)4)15(5)6;1-2/h14-16H,9-13H2,1-8H3;1-2H3
InChIKeyLMVVJJSKLZKLTN-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.53
Rot. Bonds10

About 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane

2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane (PubChem CID 142590782) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane
PubChem CID142590782
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane
SMILESCC.CCCC(C)(C(=O)OCCN(C(C)C)C(C)C)C(C)CC
InChIInChI=1S/C18H37NO2.C2H6/c1-9-11-18(8,16(7)10-2)17(20)21-13-12-19(14(3)4)15(5)6;1-2/h14-16H,9-13H2,1-8H3;1-2H3
InChIKeyLMVVJJSKLZKLTN-UHFFFAOYSA-N
XLogP5.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane (CID 142590782) is 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane is CC.CCCC(C)(C(=O)OCCN(C(C)C)C(C)C)C(C)CC.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane?
The InChIKey is LMVVJJSKLZKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.C2H6/c1-9-11-18(8,16(7)10-2)17(20)21-13-12-19(14(3)4)15(5)6;1-2/h14-16H,9-13H2,1-8H3;1-2H3.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane?
2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane has a molecular weight of 329.57 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane is sourced from PubChem (CID 142590782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).