1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea

C10H21N3O — CID 79163465

IUPAC1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea
SMILESCCN(C)C(=O)NCCC1CCNC1
InChIInChI=1S/C10H21N3O/c1-3-13(2)10(14)12-7-5-9-4-6-11-8-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyVEBYSFNHHZLWQB-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.65
Rot. Bonds4

About 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea

1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea (PubChem CID 79163465) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea
PubChem CID79163465
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea
SMILESCCN(C)C(=O)NCCC1CCNC1
InChIInChI=1S/C10H21N3O/c1-3-13(2)10(14)12-7-5-9-4-6-11-8-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyVEBYSFNHHZLWQB-UHFFFAOYSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide
CID 119537644
2-(diethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119538205
1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794049
3-[2-[[ethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
CID 119977011
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide
CID 81331227
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119533737

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea (CID 79163465) is 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea is CCN(C)C(=O)NCCC1CCNC1.
What is the InChIKey of 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea?
The InChIKey is VEBYSFNHHZLWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-13(2)10(14)12-7-5-9-4-6-11-8-9/h9,11H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea?
1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea has a molecular weight of 199.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea is sourced from PubChem (CID 79163465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).