1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea

C10H21N3O — CID 67580612

IUPAC1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea
SMILESCCN1CCC(N(C)C(=O)N(C)C)C1
InChIInChI=1S/C10H21N3O/c1-5-13-7-6-9(8-13)12(4)10(14)11(2)3/h9H,5-8H2,1-4H3
InChIKeyIIGYKZBMBWRWGH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.69
Rot. Bonds2

About 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea

1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea (PubChem CID 67580612) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea
PubChem CID67580612
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea
SMILESCCN1CCC(N(C)C(=O)N(C)C)C1
InChIInChI=1S/C10H21N3O/c1-5-13-7-6-9(8-13)12(4)10(14)11(2)3/h9H,5-8H2,1-4H3
InChIKeyIIGYKZBMBWRWGH-UHFFFAOYSA-N
XLogP0.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 163266627
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide
CID 22954158
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
N-(1-ethylpiperidin-4-yl)-4-hydroxy-N-methylpentanamide
CID 79192601
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
1-[1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]pyrrolidin-3-yl]-1,3,3-trimethylurea
CID 167928518
1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea
CID 166605056
1-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-1,3,3-trimethylurea
CID 10136042
N-(1-ethylpiperidin-4-yl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 55229194

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea (CID 67580612) is 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea is CCN1CCC(N(C)C(=O)N(C)C)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea?
The InChIKey is IIGYKZBMBWRWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-5-13-7-6-9(8-13)12(4)10(14)11(2)3/h9H,5-8H2,1-4H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea?
1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea has a molecular weight of 199.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-1,3,3-trimethylurea is sourced from PubChem (CID 67580612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).