1,3-diaminourea;2-(2-hydroxyethoxy)ethanol

C5H16N4O4 — CID 159824240

IUPAC1,3-diaminourea;2-(2-hydroxyethoxy)ethanol
SMILESNNC(=O)NN.OCCOCCO
InChIInChI=1S/C4H10O3.CH6N4O/c5-1-3-7-4-2-6;2-4-1(6)5-3/h5-6H,1-4H2;2-3H2,(H2,4,5,6)
InChIKeyNMPXKTWCIGZNMV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-2.98
Rot. Bonds4

About 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol

1,3-diaminourea;2-(2-hydroxyethoxy)ethanol (PubChem CID 159824240) has the molecular formula C5H16N4O4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1,3-diaminourea;2-(2-hydroxyethoxy)ethanol
PubChem CID159824240
Molecular FormulaC5H16N4O4
Molecular Weight196.21 g/mol
Exact Mass196.12
IUPAC Name1,3-diaminourea;2-(2-hydroxyethoxy)ethanol
SMILESNNC(=O)NN.OCCOCCO
InChIInChI=1S/C4H10O3.CH6N4O/c5-1-3-7-4-2-6;2-4-1(6)5-3/h5-6H,1-4H2;2-3H2,(H2,4,5,6)
InChIKeyNMPXKTWCIGZNMV-UHFFFAOYSA-N
XLogP-2.98
TPSA142.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.21
LogP ≤ 5-2.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
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-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-[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
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049

Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol (CID 159824240) is 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol is NNC(=O)NN.OCCOCCO.
What is the InChIKey of 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol?
The InChIKey is NMPXKTWCIGZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.CH6N4O/c5-1-3-7-4-2-6;2-4-1(6)5-3/h5-6H,1-4H2;2-3H2,(H2,4,5,6).
What are the key properties of 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol?
1,3-diaminourea;2-(2-hydroxyethoxy)ethanol has a molecular weight of 196.21 g/mol, XLogP of -2.98, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 159824240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).