[(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea

C11H21N3O — CID 5337511

IUPAC[(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)C1CC1(C)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-7(13-14-9(12)15)8-6-11(8,5)10(2,3)4/h8H,6H2,1-5H3,(H3,12,14,15)/b13-7+
InChIKeyCKQDLWSKFIVAEJ-NTUHNPAUSA-N
MW211.31 g/mol
LogP2.10
Rot. Bonds2

About [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea

[(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea (PubChem CID 5337511) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea
PubChem CID5337511
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)C1CC1(C)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-7(13-14-9(12)15)8-6-11(8,5)10(2,3)4/h8H,6H2,1-5H3,(H3,12,14,15)/b13-7+
InChIKeyCKQDLWSKFIVAEJ-NTUHNPAUSA-N
XLogP2.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea (CID 5337511) is [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea is C/C(=N\NC(N)=O)C1CC1(C)C(C)(C)C.
What is the InChIKey of [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea?
The InChIKey is CKQDLWSKFIVAEJ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(13-14-9(12)15)8-6-11(8,5)10(2,3)4/h8H,6H2,1-5H3,(H3,12,14,15)/b13-7+.
What are the key properties of [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea?
[(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2-tert-butyl-2-methylcyclopropyl)ethylideneamino]urea is sourced from PubChem (CID 5337511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).