1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one

C8H16N6O — CID 87805685

IUPAC1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one
SMILESCC(C)=NN=C1CNC(=O)N1C(C)(N)N
InChIInChI=1S/C8H16N6O/c1-5(2)12-13-6-4-11-7(15)14(6)8(3,9)10/h4,9-10H2,1-3H3,(H,11,15)
InChIKeyGYXNSDVDXSWTHP-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.60
Rot. Bonds2

About 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one

1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one (PubChem CID 87805685) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one
PubChem CID87805685
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one
SMILESCC(C)=NN=C1CNC(=O)N1C(C)(N)N
InChIInChI=1S/C8H16N6O/c1-5(2)12-13-6-4-11-7(15)14(6)8(3,9)10/h4,9-10H2,1-3H3,(H,11,15)
InChIKeyGYXNSDVDXSWTHP-UHFFFAOYSA-N
XLogP-0.60
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one?
The IUPAC name of 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one (CID 87805685) is 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one.
What is the SMILES notation for 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one?
The canonical SMILES for 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one is CC(C)=NN=C1CNC(=O)N1C(C)(N)N.
What is the InChIKey of 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one?
The InChIKey is GYXNSDVDXSWTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-5(2)12-13-6-4-11-7(15)14(6)8(3,9)10/h4,9-10H2,1-3H3,(H,11,15).
What are the key properties of 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one?
1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one has a molecular weight of 212.26 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one is sourced from PubChem (CID 87805685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).