1-(2-amino-2-ethylbutyl)-3-ethylurea

C9H21N3O — CID 115305864

IUPAC1-(2-amino-2-ethylbutyl)-3-ethylurea
SMILESCCNC(=O)NCC(N)(CC)CC
InChIInChI=1S/C9H21N3O/c1-4-9(10,5-2)7-12-8(13)11-6-3/h4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyGUQNBXCHRLDUOP-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.82
Rot. Bonds5

About 1-(2-amino-2-ethylbutyl)-3-ethylurea

1-(2-amino-2-ethylbutyl)-3-ethylurea (PubChem CID 115305864) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutyl)-3-ethylurea
PubChem CID115305864
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-(2-amino-2-ethylbutyl)-3-ethylurea
SMILESCCNC(=O)NCC(N)(CC)CC
InChIInChI=1S/C9H21N3O/c1-4-9(10,5-2)7-12-8(13)11-6-3/h4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyGUQNBXCHRLDUOP-UHFFFAOYSA-N
XLogP0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-ethylbutyl)-3-tert-butylurea
CID 115305870
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
1,3-diethylurea;ethane
CID 142885504
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(2-amino-2-ethylbutyl)-2-methoxy-2-methylpropanamide
CID 103021621
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
CID 81484822
N-(2-amino-2-ethylbutyl)-2-propylsulfonylacetamide
CID 119640214
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-ethylbutyl)-3-ethylurea?
The IUPAC name of 1-(2-amino-2-ethylbutyl)-3-ethylurea (CID 115305864) is 1-(2-amino-2-ethylbutyl)-3-ethylurea.
What is the SMILES notation for 1-(2-amino-2-ethylbutyl)-3-ethylurea?
The canonical SMILES for 1-(2-amino-2-ethylbutyl)-3-ethylurea is CCNC(=O)NCC(N)(CC)CC.
What is the InChIKey of 1-(2-amino-2-ethylbutyl)-3-ethylurea?
The InChIKey is GUQNBXCHRLDUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-9(10,5-2)7-12-8(13)11-6-3/h4-7,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(2-amino-2-ethylbutyl)-3-ethylurea?
1-(2-amino-2-ethylbutyl)-3-ethylurea has a molecular weight of 187.29 g/mol, XLogP of 0.82, 5 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-ethylurea is sourced from PubChem (CID 115305864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).