2-[2-(propan-2-ylamino)ethoxy]ethyl acetate

C9H19NO3 — CID 172574123

IUPAC2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCNC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)10-4-5-12-6-7-13-9(3)11/h8,10H,4-7H2,1-3H3
InChIKeyZPXUDSXZNHVHAF-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds7

About 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate

2-[2-(propan-2-ylamino)ethoxy]ethyl acetate (PubChem CID 172574123) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
PubChem CID172574123
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCNC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)10-4-5-12-6-7-13-9(3)11/h8,10H,4-7H2,1-3H3
InChIKeyZPXUDSXZNHVHAF-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate (CID 172574123) is 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate is CC(=O)OCCOCCNC(C)C.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate?
The InChIKey is ZPXUDSXZNHVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(2)10-4-5-12-6-7-13-9(3)11/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate?
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate has a molecular weight of 189.25 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)ethoxy]ethyl acetate is sourced from PubChem (CID 172574123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).