3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea

C11H20N2O — CID 115642104

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c1-3-13(2)11(14)12-10-7-8-4-5-9(10)6-8/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyAKKNCIYZACHBHU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea

3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea (PubChem CID 115642104) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea
PubChem CID115642104
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c1-3-13(2)11(14)12-10-7-8-4-5-9(10)6-8/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyAKKNCIYZACHBHU-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide
CID 3064442
3-(2,3-dimethylcyclobutyl)-1-ethyl-1-methylurea
CID 130865499
N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylsulfamoyl)acetamide
CID 71984128
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
CID 98119461
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-(2-chloroethyl)-1-nitrosourea
CID 98050008

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea (CID 115642104) is 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea is CCN(C)C(=O)NC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea?
The InChIKey is AKKNCIYZACHBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-13(2)11(14)12-10-7-8-4-5-9(10)6-8/h8-10H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea?
3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea has a molecular weight of 196.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 115642104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).