1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea

C11H21N3O — CID 165465786

IUPAC1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC1CC2CCC1N2
InChIInChI=1S/C11H21N3O/c1-7(2)6-12-11(15)14-10-5-8-3-4-9(10)13-8/h7-10,13H,3-6H2,1-2H3,(H2,12,14,15)
InChIKeySVHJDAONJWIRAY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.83
Rot. Bonds3

About 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea

1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea (PubChem CID 165465786) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea
PubChem CID165465786
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC1CC2CCC1N2
InChIInChI=1S/C11H21N3O/c1-7(2)6-12-11(15)14-10-5-8-3-4-9(10)13-8/h7-10,13H,3-6H2,1-2H3,(H2,12,14,15)
InChIKeySVHJDAONJWIRAY-UHFFFAOYSA-N
XLogP0.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea (CID 165465786) is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)NC1CC2CCC1N2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea?
The InChIKey is SVHJDAONJWIRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)6-12-11(15)14-10-5-8-3-4-9(10)13-8/h7-10,13H,3-6H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea?
1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea has a molecular weight of 211.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 165465786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).