1-tert-butyl-1-ethyl-3-methylurea

C8H18N2O — CID 19354673

IUPAC1-tert-butyl-1-ethyl-3-methylurea
SMILESCCN(C(=O)NC)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-6-10(7(11)9-5)8(2,3)4/h6H2,1-5H3,(H,9,11)
InChIKeyTVBQZAGYTBPRLX-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.45
Rot. Bonds1

About 1-tert-butyl-1-ethyl-3-methylurea

1-tert-butyl-1-ethyl-3-methylurea (PubChem CID 19354673) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-tert-butyl-1-ethyl-3-methylurea.

Molecular Properties

Compound Name1-tert-butyl-1-ethyl-3-methylurea
PubChem CID19354673
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-tert-butyl-1-ethyl-3-methylurea
SMILESCCN(C(=O)NC)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-6-10(7(11)9-5)8(2,3)4/h6H2,1-5H3,(H,9,11)
InChIKeyTVBQZAGYTBPRLX-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-ethyl-3-methylurea?
The IUPAC name of 1-tert-butyl-1-ethyl-3-methylurea (CID 19354673) is 1-tert-butyl-1-ethyl-3-methylurea.
What is the SMILES notation for 1-tert-butyl-1-ethyl-3-methylurea?
The canonical SMILES for 1-tert-butyl-1-ethyl-3-methylurea is CCN(C(=O)NC)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-ethyl-3-methylurea?
The InChIKey is TVBQZAGYTBPRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6-10(7(11)9-5)8(2,3)4/h6H2,1-5H3,(H,9,11).
What are the key properties of 1-tert-butyl-1-ethyl-3-methylurea?
1-tert-butyl-1-ethyl-3-methylurea has a molecular weight of 158.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-ethyl-3-methylurea is sourced from PubChem (CID 19354673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).