acetic acid;bis(2-(butylamino)ethanol)

C14H34N2O4 — CID 172848833

IUPACacetic acid;bis(2-(butylamino)ethanol)
SMILESCC(=O)O.CCCCNCCO.CCCCNCCO
InChIInChI=1S/2C6H15NO.C2H4O2/c2*1-2-3-4-7-5-6-8;1-2(3)4/h2*7-8H,2-6H2,1H3;1H3,(H,3,4)
InChIKeyXUHRPFOEJLXKBX-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.83
Rot. Bonds10

About acetic acid;bis(2-(butylamino)ethanol)

acetic acid;bis(2-(butylamino)ethanol) (PubChem CID 172848833) has the molecular formula C14H34N2O4 and a molecular weight of 294.44 g/mol. Its IUPAC name is acetic acid;bis(2-(butylamino)ethanol).

Molecular Properties

Compound Nameacetic acid;bis(2-(butylamino)ethanol)
PubChem CID172848833
Molecular FormulaC14H34N2O4
Molecular Weight294.44 g/mol
Exact Mass294.25
IUPAC Nameacetic acid;bis(2-(butylamino)ethanol)
SMILESCC(=O)O.CCCCNCCO.CCCCNCCO
InChIInChI=1S/2C6H15NO.C2H4O2/c2*1-2-3-4-7-5-6-8;1-2(3)4/h2*7-8H,2-6H2,1H3;1H3,(H,3,4)
InChIKeyXUHRPFOEJLXKBX-UHFFFAOYSA-N
XLogP0.83
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
N-butylbutan-1-amine;propan-1-ol
CID 174657089
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
butan-2-one;N-butylbutan-1-amine
CID 161180085
acetamide;N-butylbutan-1-amine
CID 172792447
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride
CID 173350760
CID 173081890
CID 173081890
2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol
CID 166951317
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(2-(butylamino)ethanol)?
The IUPAC name of acetic acid;bis(2-(butylamino)ethanol) (CID 172848833) is acetic acid;bis(2-(butylamino)ethanol).
What is the SMILES notation for acetic acid;bis(2-(butylamino)ethanol)?
The canonical SMILES for acetic acid;bis(2-(butylamino)ethanol) is CC(=O)O.CCCCNCCO.CCCCNCCO.
What is the InChIKey of acetic acid;bis(2-(butylamino)ethanol)?
The InChIKey is XUHRPFOEJLXKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO.C2H4O2/c2*1-2-3-4-7-5-6-8;1-2(3)4/h2*7-8H,2-6H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;bis(2-(butylamino)ethanol)?
acetic acid;bis(2-(butylamino)ethanol) has a molecular weight of 294.44 g/mol, XLogP of 0.83, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(2-(butylamino)ethanol) is sourced from PubChem (CID 172848833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).