1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea

C9H19N3O — CID 82504241

IUPAC1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
SMILESCC(CN)N(C)C(=O)NC1CCC1
InChIInChI=1S/C9H19N3O/c1-7(6-10)12(2)9(13)11-8-4-3-5-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyXMLQFXQSIZOZRS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea

1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea (PubChem CID 82504241) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
PubChem CID82504241
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
SMILESCC(CN)N(C)C(=O)NC1CCC1
InChIInChI=1S/C9H19N3O/c1-7(6-10)12(2)9(13)11-8-4-3-5-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyXMLQFXQSIZOZRS-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
3-cyclopentyl-1-methyl-1-pentan-2-ylurea
CID 115581562
3-cyclopropyl-1-methyl-1-pentan-2-ylurea
CID 115581567
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea (CID 82504241) is 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea is CC(CN)N(C)C(=O)NC1CCC1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea?
The InChIKey is XMLQFXQSIZOZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-10)12(2)9(13)11-8-4-3-5-8/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea?
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea is sourced from PubChem (CID 82504241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).