1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea

C13H25N3O — CID 61232866

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)C1CC2CCC(C1)N2
InChIInChI=1S/C13H25N3O/c1-3-7-16(13(17)14-4-2)12-8-10-5-6-11(9-12)15-10/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyYUZDSATWVZIMPQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds4

About 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea

1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea (PubChem CID 61232866) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
PubChem CID61232866
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)C1CC2CCC(C1)N2
InChIInChI=1S/C13H25N3O/c1-3-7-16(13(17)14-4-2)12-8-10-5-6-11(9-12)15-10/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyYUZDSATWVZIMPQ-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea (CID 61232866) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea is CCCN(C(=O)NCC)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea?
The InChIKey is YUZDSATWVZIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-7-16(13(17)14-4-2)12-8-10-5-6-11(9-12)15-10/h10-12,15H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea?
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea has a molecular weight of 239.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-1-propylurea is sourced from PubChem (CID 61232866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).