3-amino-1-ethyl-1-(2-ethylbutyl)urea

C9H21N3O — CID 61438084

IUPAC3-amino-1-ethyl-1-(2-ethylbutyl)urea
SMILESCCC(CC)CN(CC)C(=O)NN
InChIInChI=1S/C9H21N3O/c1-4-8(5-2)7-12(6-3)9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeySWYKMSAKJFAWME-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.33
Rot. Bonds5

About 3-amino-1-ethyl-1-(2-ethylbutyl)urea

3-amino-1-ethyl-1-(2-ethylbutyl)urea (PubChem CID 61438084) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-(2-ethylbutyl)urea.

Molecular Properties

Compound Name3-amino-1-ethyl-1-(2-ethylbutyl)urea
PubChem CID61438084
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-amino-1-ethyl-1-(2-ethylbutyl)urea
SMILESCCC(CC)CN(CC)C(=O)NN
InChIInChI=1S/C9H21N3O/c1-4-8(5-2)7-12(6-3)9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeySWYKMSAKJFAWME-UHFFFAOYSA-N
XLogP1.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-(2-ethylbutyl)-3-propylurea
CID 115583094
3-amino-1-ethyl-1-propylurea
CID 43269070
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)propanamide
CID 78972081
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
CID 115589057
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61437732
3-amino-1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 104884798
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
N-ethyl-N-(2-ethylbutyl)-2,2-dimethylpropanamide
CID 62735136
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296
2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61437723
3-amino-2-butyl-1-ethyl-1-(2-ethylbutyl)guanidine
CID 104884793

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-(2-ethylbutyl)urea?
The IUPAC name of 3-amino-1-ethyl-1-(2-ethylbutyl)urea (CID 61438084) is 3-amino-1-ethyl-1-(2-ethylbutyl)urea.
What is the SMILES notation for 3-amino-1-ethyl-1-(2-ethylbutyl)urea?
The canonical SMILES for 3-amino-1-ethyl-1-(2-ethylbutyl)urea is CCC(CC)CN(CC)C(=O)NN.
What is the InChIKey of 3-amino-1-ethyl-1-(2-ethylbutyl)urea?
The InChIKey is SWYKMSAKJFAWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-8(5-2)7-12(6-3)9(13)11-10/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 3-amino-1-ethyl-1-(2-ethylbutyl)urea?
3-amino-1-ethyl-1-(2-ethylbutyl)urea has a molecular weight of 187.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-(2-ethylbutyl)urea is sourced from PubChem (CID 61438084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).