ethane;2-[methyl(propyl)amino]ethyl acetate

C10H23NO2 — CID 143043646

IUPACethane;2-[methyl(propyl)amino]ethyl acetate
SMILESCC.CCCN(C)CCOC(C)=O
InChIInChI=1S/C8H17NO2.C2H6/c1-4-5-9(3)6-7-11-8(2)10;1-2/h4-7H2,1-3H3;1-2H3
InChIKeyCAGCPJPKGNYEOK-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.92
Rot. Bonds5

About ethane;2-[methyl(propyl)amino]ethyl acetate

ethane;2-[methyl(propyl)amino]ethyl acetate (PubChem CID 143043646) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;2-[methyl(propyl)amino]ethyl acetate.

Molecular Properties

Compound Nameethane;2-[methyl(propyl)amino]ethyl acetate
PubChem CID143043646
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;2-[methyl(propyl)amino]ethyl acetate
SMILESCC.CCCN(C)CCOC(C)=O
InChIInChI=1S/C8H17NO2.C2H6/c1-4-5-9(3)6-7-11-8(2)10;1-2/h4-7H2,1-3H3;1-2H3
InChIKeyCAGCPJPKGNYEOK-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl(propyl)amino]ethyl acetate?
The IUPAC name of ethane;2-[methyl(propyl)amino]ethyl acetate (CID 143043646) is ethane;2-[methyl(propyl)amino]ethyl acetate.
What is the SMILES notation for ethane;2-[methyl(propyl)amino]ethyl acetate?
The canonical SMILES for ethane;2-[methyl(propyl)amino]ethyl acetate is CC.CCCN(C)CCOC(C)=O.
What is the InChIKey of ethane;2-[methyl(propyl)amino]ethyl acetate?
The InChIKey is CAGCPJPKGNYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-4-5-9(3)6-7-11-8(2)10;1-2/h4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[methyl(propyl)amino]ethyl acetate?
ethane;2-[methyl(propyl)amino]ethyl acetate has a molecular weight of 189.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl(propyl)amino]ethyl acetate is sourced from PubChem (CID 143043646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).