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

C10H21N3O — CID 114794049

IUPAC1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
SMILESCCN(C)C(=O)NCCC1CCCN1
InChIInChI=1S/C10H21N3O/c1-3-13(2)10(14)12-8-6-9-5-4-7-11-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyVKRMGXUVEMIUSI-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds4

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

1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea (PubChem CID 114794049) 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-2-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
PubChem CID114794049
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
SMILESCCN(C)C(=O)NCCC1CCCN1
InChIInChI=1S/C10H21N3O/c1-3-13(2)10(14)12-8-6-9-5-4-7-11-9/h9,11H,3-8H2,1-2H3,(H,12,14)
InChIKeyVKRMGXUVEMIUSI-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972266

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea (CID 114794049) is 1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea is CCN(C)C(=O)NCCC1CCCN1.
What is the InChIKey of 1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea?
The InChIKey is VKRMGXUVEMIUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-13(2)10(14)12-8-6-9-5-4-7-11-9/h9,11H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea?
1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea has a molecular weight of 199.30 g/mol, XLogP of 0.79, 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-2-ylethyl)urea is sourced from PubChem (CID 114794049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).