[1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea

C9H21N5O2 — CID 57245134

IUPAC[1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea
SMILESCC(NCCN)(NC(N)=O)N1CCOCC1
InChIInChI=1S/C9H21N5O2/c1-9(12-3-2-10,13-8(11)15)14-4-6-16-7-5-14/h12H,2-7,10H2,1H3,(H3,11,13,15)
InChIKeyDBFKLLTZZPBZRI-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.79
Rot. Bonds5

About [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea

[1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea (PubChem CID 57245134) has the molecular formula C9H21N5O2 and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name[1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea
PubChem CID57245134
Molecular FormulaC9H21N5O2
Molecular Weight231.30 g/mol
Exact Mass231.17
IUPAC Name[1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea
SMILESCC(NCCN)(NC(N)=O)N1CCOCC1
InChIInChI=1S/C9H21N5O2/c1-9(12-3-2-10,13-8(11)15)14-4-6-16-7-5-14/h12H,2-7,10H2,1H3,(H3,11,13,15)
InChIKeyDBFKLLTZZPBZRI-UHFFFAOYSA-N
XLogP-1.79
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea?
The IUPAC name of [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea (CID 57245134) is [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea.
What is the SMILES notation for [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea?
The canonical SMILES for [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea is CC(NCCN)(NC(N)=O)N1CCOCC1.
What is the InChIKey of [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea?
The InChIKey is DBFKLLTZZPBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O2/c1-9(12-3-2-10,13-8(11)15)14-4-6-16-7-5-14/h12H,2-7,10H2,1H3,(H3,11,13,15).
What are the key properties of [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea?
[1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea has a molecular weight of 231.30 g/mol, XLogP of -1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethylamino)-1-morpholin-4-ylethyl]urea is sourced from PubChem (CID 57245134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).