(3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea

C10H20N4O2 — CID 15192420

IUPAC(3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea
SMILESCC(C)(C)NC(=O)/N=N/C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N4O2/c1-9(2,3)11-7(15)13-14-8(16)12-10(4,5)6/h1-6H3,(H,11,15)(H,12,16)/b14-13+
InChIKeyXNBWCOQOIYYIQY-BUHFOSPRSA-N
MW228.30 g/mol
LogP2.45
Rot. Bonds

About (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea

(3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea (PubChem CID 15192420) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea.

Molecular Properties

Compound Name(3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea
PubChem CID15192420
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name(3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea
SMILESCC(C)(C)NC(=O)/N=N/C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N4O2/c1-9(2,3)11-7(15)13-14-8(16)12-10(4,5)6/h1-6H3,(H,11,15)(H,12,16)/b14-13+
InChIKeyXNBWCOQOIYYIQY-BUHFOSPRSA-N
XLogP2.45
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea?
The IUPAC name of (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea (CID 15192420) is (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea.
What is the SMILES notation for (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea?
The canonical SMILES for (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea is CC(C)(C)NC(=O)/N=N/C(=O)NC(C)(C)C.
What is the InChIKey of (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea?
The InChIKey is XNBWCOQOIYYIQY-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-9(2,3)11-7(15)13-14-8(16)12-10(4,5)6/h1-6H3,(H,11,15)(H,12,16)/b14-13+.
What are the key properties of (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea?
(3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea has a molecular weight of 228.30 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea is sourced from PubChem (CID 15192420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).