2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea

C6H17N5O2 — CID 174338030

IUPAC2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea
SMILESNC(=O)NCCNCCNC(N)O
InChIInChI=1S/C6H17N5O2/c7-5(12)10-3-1-9-2-4-11-6(8)13/h5,9-10,12H,1-4,7H2,(H3,8,11,13)
InChIKeyLOPCYNNGELEZNT-UHFFFAOYSA-N
MW191.23 g/mol
LogP-2.93
Rot. Bonds7

About 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea

2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea (PubChem CID 174338030) has the molecular formula C6H17N5O2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea.

Molecular Properties

Compound Name2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea
PubChem CID174338030
Molecular FormulaC6H17N5O2
Molecular Weight191.23 g/mol
Exact Mass191.14
IUPAC Name2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea
SMILESNC(=O)NCCNCCNC(N)O
InChIInChI=1S/C6H17N5O2/c7-5(12)10-3-1-9-2-4-11-6(8)13/h5,9-10,12H,1-4,7H2,(H3,8,11,13)
InChIKeyLOPCYNNGELEZNT-UHFFFAOYSA-N
XLogP-2.93
TPSA125.43 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500191.23
LogP ≤ 5-2.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea?
The IUPAC name of 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea (CID 174338030) is 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea.
What is the SMILES notation for 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea?
The canonical SMILES for 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea is NC(=O)NCCNCCNC(N)O.
What is the InChIKey of 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea?
The InChIKey is LOPCYNNGELEZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N5O2/c7-5(12)10-3-1-9-2-4-11-6(8)13/h5,9-10,12H,1-4,7H2,(H3,8,11,13).
What are the key properties of 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea?
2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea has a molecular weight of 191.23 g/mol, XLogP of -2.93, 7 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[amino(hydroxy)methyl]amino]ethylamino]ethylurea is sourced from PubChem (CID 174338030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).