1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea

C10H21N3O — CID 102874287

IUPAC1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(CCN)C1CCC1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(14)13(7-6-11)9-4-3-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyZPDVADHDHKMHLV-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds4

About 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea

1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea (PubChem CID 102874287) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea
PubChem CID102874287
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(CCN)C1CCC1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(14)13(7-6-11)9-4-3-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyZPDVADHDHKMHLV-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea?
The IUPAC name of 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea (CID 102874287) is 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea?
The canonical SMILES for 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea is CC(C)NC(=O)N(CCN)C1CCC1.
What is the InChIKey of 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea?
The InChIKey is ZPDVADHDHKMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)12-10(14)13(7-6-11)9-4-3-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea?
1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea has a molecular weight of 199.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea is sourced from PubChem (CID 102874287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).