acetic acid;2-(1,1-diaminoethoxy)ethanol

C12H28N2O10 — CID 173101574

IUPACacetic acid;2-(1,1-diaminoethoxy)ethanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(N)(N)OCCO
InChIInChI=1S/C4H12N2O2.4C2H4O2/c1-4(5,6)8-3-2-7;4*1-2(3)4/h7H,2-3,5-6H2,1H3;4*1H3,(H,3,4)
InChIKeyOHVCKLARYUDSFR-UHFFFAOYSA-N
MW360.36 g/mol
LogP-1.05
Rot. Bonds3

About acetic acid;2-(1,1-diaminoethoxy)ethanol

acetic acid;2-(1,1-diaminoethoxy)ethanol (PubChem CID 173101574) has the molecular formula C12H28N2O10 and a molecular weight of 360.36 g/mol. Its IUPAC name is acetic acid;2-(1,1-diaminoethoxy)ethanol.

Molecular Properties

Compound Nameacetic acid;2-(1,1-diaminoethoxy)ethanol
PubChem CID173101574
Molecular FormulaC12H28N2O10
Molecular Weight360.36 g/mol
Exact Mass360.17
IUPAC Nameacetic acid;2-(1,1-diaminoethoxy)ethanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(N)(N)OCCO
InChIInChI=1S/C4H12N2O2.4C2H4O2/c1-4(5,6)8-3-2-7;4*1-2(3)4/h7H,2-3,5-6H2,1H3;4*1H3,(H,3,4)
InChIKeyOHVCKLARYUDSFR-UHFFFAOYSA-N
XLogP-1.05
TPSA230.70 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.36
LogP ≤ 5-1.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
CID 175336069
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
acetic acid;2-(hydroxymethoxy)ethanol
CID 53447013
5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
CID 165493841
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
acetic acid;triethoxymethanamine
CID 175078602
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(1,1-diaminoethoxy)ethanol?
The IUPAC name of acetic acid;2-(1,1-diaminoethoxy)ethanol (CID 173101574) is acetic acid;2-(1,1-diaminoethoxy)ethanol.
What is the SMILES notation for acetic acid;2-(1,1-diaminoethoxy)ethanol?
The canonical SMILES for acetic acid;2-(1,1-diaminoethoxy)ethanol is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(N)(N)OCCO.
What is the InChIKey of acetic acid;2-(1,1-diaminoethoxy)ethanol?
The InChIKey is OHVCKLARYUDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2.4C2H4O2/c1-4(5,6)8-3-2-7;4*1-2(3)4/h7H,2-3,5-6H2,1H3;4*1H3,(H,3,4).
What are the key properties of acetic acid;2-(1,1-diaminoethoxy)ethanol?
acetic acid;2-(1,1-diaminoethoxy)ethanol has a molecular weight of 360.36 g/mol, XLogP of -1.05, 3 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(1,1-diaminoethoxy)ethanol is sourced from PubChem (CID 173101574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).