1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea

C10H21N5O2 — CID 83121176

IUPAC1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea
SMILESCN(C)C(=O)NCCNCCN1CCNC1=O
InChIInChI=1S/C10H21N5O2/c1-14(2)9(16)12-4-3-11-5-7-15-8-6-13-10(15)17/h11H,3-8H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyLTZMZUAMBIHPPC-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.13
Rot. Bonds6

About 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea

1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea (PubChem CID 83121176) has the molecular formula C10H21N5O2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea
PubChem CID83121176
Molecular FormulaC10H21N5O2
Molecular Weight243.31 g/mol
Exact Mass243.17
IUPAC Name1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea
SMILESCN(C)C(=O)NCCNCCN1CCNC1=O
InChIInChI=1S/C10H21N5O2/c1-14(2)9(16)12-4-3-11-5-7-15-8-6-13-10(15)17/h11H,3-8H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyLTZMZUAMBIHPPC-UHFFFAOYSA-N
XLogP-1.13
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea (CID 83121176) is 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea is CN(C)C(=O)NCCNCCN1CCNC1=O.
What is the InChIKey of 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea?
The InChIKey is LTZMZUAMBIHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2/c1-14(2)9(16)12-4-3-11-5-7-15-8-6-13-10(15)17/h11H,3-8H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea?
1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea has a molecular weight of 243.31 g/mol, XLogP of -1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea is sourced from PubChem (CID 83121176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).