1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea

C11H21N3O2 — CID 165463568

IUPAC1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C11H21N3O2/c1-16-3-2-12-11(15)14-10-5-8-4-9(6-10)13-7-8/h8-10,13H,2-7H2,1H3,(H2,12,14,15)
InChIKeyCVUPRMMPOUDWBH-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.07
Rot. Bonds4

About 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea

1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea (PubChem CID 165463568) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea
PubChem CID165463568
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C11H21N3O2/c1-16-3-2-12-11(15)14-10-5-8-4-9(6-10)13-7-8/h8-10,13H,2-7H2,1H3,(H2,12,14,15)
InChIKeyCVUPRMMPOUDWBH-UHFFFAOYSA-N
XLogP0.07
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoacetate
CID 165463590
2-(cyclopropylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47127449
4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
CID 165463588
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589
1-(4-amino-4-methylcyclohexyl)-3-(2-methoxyethyl)urea
CID 165468943
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
N-methyl-6-azabicyclo[3.2.1]octan-3-amine
CID 171036183
methyl 6-azabicyclo[3.2.1]octane-3-carboxylate
CID 44609133
1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea
CID 165451259
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-methoxyethyl)acetamide
CID 113053206

Frequently Asked Questions

What is the IUPAC name of 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea (CID 165463568) is 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea is COCCNC(=O)NC1CC2CNC(C2)C1.
What is the InChIKey of 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea?
The InChIKey is CVUPRMMPOUDWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-16-3-2-12-11(15)14-10-5-8-4-9(6-10)13-7-8/h8-10,13H,2-7H2,1H3,(H2,12,14,15).
What are the key properties of 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea?
1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea has a molecular weight of 227.31 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 165463568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).