1-(2-amino-2-ethylbutyl)-3-tert-butylurea

C11H25N3O — CID 115305870

IUPAC1-(2-amino-2-ethylbutyl)-3-tert-butylurea
SMILESCCC(N)(CC)CNC(=O)NC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-6-11(12,7-2)8-13-9(15)14-10(3,4)5/h6-8,12H2,1-5H3,(H2,13,14,15)
InChIKeyPIGAEUUYDYRTQK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-amino-2-ethylbutyl)-3-tert-butylurea

1-(2-amino-2-ethylbutyl)-3-tert-butylurea (PubChem CID 115305870) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutyl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutyl)-3-tert-butylurea
PubChem CID115305870
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(2-amino-2-ethylbutyl)-3-tert-butylurea
SMILESCCC(N)(CC)CNC(=O)NC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-6-11(12,7-2)8-13-9(15)14-10(3,4)5/h6-8,12H2,1-5H3,(H2,13,14,15)
InChIKeyPIGAEUUYDYRTQK-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-ethylbutyl)-3-ethylurea
CID 115305864
1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 65113623
1-tert-butyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 115695158
N-(2-amino-2-ethylbutyl)-2-methoxy-2-methylpropanamide
CID 103021621
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
CID 81484822
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N-(2-amino-2-ethylbutyl)-2-propylsulfonylacetamide
CID 119640214
N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119640041

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-ethylbutyl)-3-tert-butylurea?
The IUPAC name of 1-(2-amino-2-ethylbutyl)-3-tert-butylurea (CID 115305870) is 1-(2-amino-2-ethylbutyl)-3-tert-butylurea.
What is the SMILES notation for 1-(2-amino-2-ethylbutyl)-3-tert-butylurea?
The canonical SMILES for 1-(2-amino-2-ethylbutyl)-3-tert-butylurea is CCC(N)(CC)CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-(2-amino-2-ethylbutyl)-3-tert-butylurea?
The InChIKey is PIGAEUUYDYRTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-6-11(12,7-2)8-13-9(15)14-10(3,4)5/h6-8,12H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-2-ethylbutyl)-3-tert-butylurea?
1-(2-amino-2-ethylbutyl)-3-tert-butylurea has a molecular weight of 215.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-ethylbutyl)-3-tert-butylurea is sourced from PubChem (CID 115305870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).