1-(3-aminocyclobutyl)-3-cyclopropylurea

C8H15N3O — CID 62700809

IUPAC1-(3-aminocyclobutyl)-3-cyclopropylurea
SMILESNC1CC(NC(=O)NC2CC2)C1
InChIInChI=1S/C8H15N3O/c9-5-3-7(4-5)11-8(12)10-6-1-2-6/h5-7H,1-4,9H2,(H2,10,11,12)
InChIKeyHVOOYTDQYDLGHK-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.06
Rot. Bonds2

About 1-(3-aminocyclobutyl)-3-cyclopropylurea

1-(3-aminocyclobutyl)-3-cyclopropylurea (PubChem CID 62700809) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-3-cyclopropylurea
PubChem CID62700809
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(3-aminocyclobutyl)-3-cyclopropylurea
SMILESNC1CC(NC(=O)NC2CC2)C1
InChIInChI=1S/C8H15N3O/c9-5-3-7(4-5)11-8(12)10-6-1-2-6/h5-7H,1-4,9H2,(H2,10,11,12)
InChIKeyHVOOYTDQYDLGHK-UHFFFAOYSA-N
XLogP-0.06
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-3-cyclopropylurea?
The IUPAC name of 1-(3-aminocyclobutyl)-3-cyclopropylurea (CID 62700809) is 1-(3-aminocyclobutyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(3-aminocyclobutyl)-3-cyclopropylurea?
The canonical SMILES for 1-(3-aminocyclobutyl)-3-cyclopropylurea is NC1CC(NC(=O)NC2CC2)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-3-cyclopropylurea?
The InChIKey is HVOOYTDQYDLGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-5-3-7(4-5)11-8(12)10-6-1-2-6/h5-7H,1-4,9H2,(H2,10,11,12).
What are the key properties of 1-(3-aminocyclobutyl)-3-cyclopropylurea?
1-(3-aminocyclobutyl)-3-cyclopropylurea has a molecular weight of 169.23 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-3-cyclopropylurea is sourced from PubChem (CID 62700809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).