1-(3-amino-2-methylpropyl)-3-cyclobutylurea

C9H19N3O — CID 116658132

IUPAC1-(3-amino-2-methylpropyl)-3-cyclobutylurea
SMILESCC(CN)CNC(=O)NC1CCC1
InChIInChI=1S/C9H19N3O/c1-7(5-10)6-11-9(13)12-8-3-2-4-8/h7-8H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyLAGDPLPIFTXJGK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-3-cyclobutylurea

1-(3-amino-2-methylpropyl)-3-cyclobutylurea (PubChem CID 116658132) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-3-cyclobutylurea
PubChem CID116658132
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(3-amino-2-methylpropyl)-3-cyclobutylurea
SMILESCC(CN)CNC(=O)NC1CCC1
InChIInChI=1S/C9H19N3O/c1-7(5-10)6-11-9(13)12-8-3-2-4-8/h7-8H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyLAGDPLPIFTXJGK-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103860224
1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508663

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-3-cyclobutylurea?
The IUPAC name of 1-(3-amino-2-methylpropyl)-3-cyclobutylurea (CID 116658132) is 1-(3-amino-2-methylpropyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-3-cyclobutylurea?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-3-cyclobutylurea is CC(CN)CNC(=O)NC1CCC1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-3-cyclobutylurea?
The InChIKey is LAGDPLPIFTXJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(5-10)6-11-9(13)12-8-3-2-4-8/h7-8H,2-6,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-(3-amino-2-methylpropyl)-3-cyclobutylurea?
1-(3-amino-2-methylpropyl)-3-cyclobutylurea has a molecular weight of 185.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-3-cyclobutylurea is sourced from PubChem (CID 116658132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).