1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one

C15H32N2O4 — CID 176580900

IUPAC1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one
SMILESCCC(=O)CNCCOCCOCCOCCNC(C)C
InChIInChI=1S/C15H32N2O4/c1-4-15(18)13-16-5-7-19-9-11-21-12-10-20-8-6-17-14(2)3/h14,16-17H,4-13H2,1-3H3
InChIKeyYWGHENPQTSSRAT-UHFFFAOYSA-N
MW304.43 g/mol
LogP0.60
Rot. Bonds16

About 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one

1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one (PubChem CID 176580900) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one
PubChem CID176580900
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one
SMILESCCC(=O)CNCCOCCOCCOCCNC(C)C
InChIInChI=1S/C15H32N2O4/c1-4-15(18)13-16-5-7-19-9-11-21-12-10-20-8-6-17-14(2)3/h14,16-17H,4-13H2,1-3H3
InChIKeyYWGHENPQTSSRAT-UHFFFAOYSA-N
XLogP0.60
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one
CID 170056959
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
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
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
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
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
ethane;1-(propan-2-ylamino)butan-2-one
CID 176992456

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one?
The IUPAC name of 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one (CID 176580900) is 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one.
What is the SMILES notation for 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one?
The canonical SMILES for 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one is CCC(=O)CNCCOCCOCCOCCNC(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one?
The InChIKey is YWGHENPQTSSRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-4-15(18)13-16-5-7-19-9-11-21-12-10-20-8-6-17-14(2)3/h14,16-17H,4-13H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one?
1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one has a molecular weight of 304.43 g/mol, XLogP of 0.60, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one is sourced from PubChem (CID 176580900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).