acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate

C12H26N2O4 — CID 162327339

IUPACacetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
SMILESCC(=O)O.CCCCNCCNCCOC(C)=O
InChIInChI=1S/C10H22N2O2.C2H4O2/c1-3-4-5-11-6-7-12-8-9-14-10(2)13;1-2(3)4/h11-12H,3-9H2,1-2H3;1H3,(H,3,4)
InChIKeySCHSHXUJAOIOIX-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.62
Rot. Bonds9

About acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate

acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate (PubChem CID 162327339) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate.

Molecular Properties

Compound Nameacetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
PubChem CID162327339
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Nameacetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
SMILESCC(=O)O.CCCCNCCNCCOC(C)=O
InChIInChI=1S/C10H22N2O2.C2H4O2/c1-3-4-5-11-6-7-12-8-9-14-10(2)13;1-2(3)4/h11-12H,3-9H2,1-2H3;1H3,(H,3,4)
InChIKeySCHSHXUJAOIOIX-UHFFFAOYSA-N
XLogP0.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(butylamino)propyl acetate
CID 82532357
acetic acid;butyl acetate
CID 158450873
acetamide;N-butylbutan-1-amine
CID 172792447
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
2-(butylamino)ethyl 2,2-dimethylpropanoate
CID 82532408
acetic acid;octyl acetate
CID 87556300
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833
acetic acid;butyl acetate;ethanol
CID 158061279
2-(butylcarbamothioylamino)ethyl acetate
CID 176996768
3-(2-acetyloxyethylamino)propane-1-sulfonic acid
CID 12643429
2-acetyloxyethyl acetate;hexane
CID 137406148
3-(ethylamino)propyl acetate
CID 88999125

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate?
The IUPAC name of acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate (CID 162327339) is acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate.
What is the SMILES notation for acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate?
The canonical SMILES for acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate is CC(=O)O.CCCCNCCNCCOC(C)=O.
What is the InChIKey of acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate?
The InChIKey is SCHSHXUJAOIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2.C2H4O2/c1-3-4-5-11-6-7-12-8-9-14-10(2)13;1-2(3)4/h11-12H,3-9H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate?
acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate has a molecular weight of 262.35 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate is sourced from PubChem (CID 162327339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).