1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol

C8H22N2O4 — CID 163519877

IUPAC1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol
SMILESNCCC(O)CN.OCCOCCO
InChIInChI=1S/C4H12N2O.C4H10O3/c5-2-1-4(7)3-6;5-1-3-7-4-2-6/h4,7H,1-3,5-6H2;5-6H,1-4H2
InChIKeyDJWPAJSNFWRCQZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP-2.36
Rot. Bonds7

About 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol

1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol (PubChem CID 163519877) has the molecular formula C8H22N2O4 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol
PubChem CID163519877
Molecular FormulaC8H22N2O4
Molecular Weight210.27 g/mol
Exact Mass210.16
IUPAC Name1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol
SMILESNCCC(O)CN.OCCOCCO
InChIInChI=1S/C4H12N2O.C4H10O3/c5-2-1-4(7)3-6;5-1-3-7-4-2-6/h4,7H,1-3,5-6H2;5-6H,1-4H2
InChIKeyDJWPAJSNFWRCQZ-UHFFFAOYSA-N
XLogP-2.36
TPSA121.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-2.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098
(4R)-6-aminohexane-1,4-diol
CID 89292424
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
6-aminohexane-1,2,5-triol
CID 19694623
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol
CID 161125126
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156

Frequently Asked Questions

What is the IUPAC name of 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol (CID 163519877) is 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol is NCCC(O)CN.OCCOCCO.
What is the InChIKey of 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol?
The InChIKey is DJWPAJSNFWRCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.C4H10O3/c5-2-1-4(7)3-6;5-1-3-7-4-2-6/h4,7H,1-3,5-6H2;5-6H,1-4H2.
What are the key properties of 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol?
1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol has a molecular weight of 210.27 g/mol, XLogP of -2.36, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diaminobutan-2-ol;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 163519877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).