1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea

C10H21N3O — CID 116658153

IUPAC1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
SMILESCCC(C)(CN)NC(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-3-10(2,7-11)13-9(14)12-8-5-4-6-8/h8H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyMSLXJPMGRUZYMF-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.97
Rot. Bonds4

About 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea

1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea (PubChem CID 116658153) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
PubChem CID116658153
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
SMILESCCC(C)(CN)NC(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-3-10(2,7-11)13-9(14)12-8-5-4-6-8/h8H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyMSLXJPMGRUZYMF-UHFFFAOYSA-N
XLogP0.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 79493195
1-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclopropylurea
CID 115307810
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
4-(1-amino-2-methylpropan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658140
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 104594557

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea?
The IUPAC name of 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea (CID 116658153) is 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea.
What is the SMILES notation for 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea?
The canonical SMILES for 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea is CCC(C)(CN)NC(=O)NC1CCC1.
What is the InChIKey of 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea?
The InChIKey is MSLXJPMGRUZYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-10(2,7-11)13-9(14)12-8-5-4-6-8/h8H,3-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea?
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea has a molecular weight of 199.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea is sourced from PubChem (CID 116658153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).