1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea

C12H24N2O — CID 103767932

IUPAC1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
SMILESCCN(C)C(=O)NCC1(CC)CCCC1
InChIInChI=1S/C12H24N2O/c1-4-12(8-6-7-9-12)10-13-11(15)14(3)5-2/h4-10H2,1-3H3,(H,13,15)
InChIKeyNXWWYJRZVFTKBH-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.62
Rot. Bonds4

About 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea

1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea (PubChem CID 103767932) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
PubChem CID103767932
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
SMILESCCN(C)C(=O)NCC1(CC)CCCC1
InChIInChI=1S/C12H24N2O/c1-4-12(8-6-7-9-12)10-13-11(15)14(3)5-2/h4-10H2,1-3H3,(H,13,15)
InChIKeyNXWWYJRZVFTKBH-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103741057
3-[(1-aminocyclobutyl)methyl]-1-ethyl-1-methylurea
CID 103352663
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554
N-[(1-ethylcyclopentyl)methyl]-2-(methylamino)acetamide
CID 103812596
3-[(1-ethylcyclopropyl)methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 122571786
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
N,N-diethyl-2-[(1-ethylcyclopentyl)methylamino]propanamide
CID 113257443
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea?
The IUPAC name of 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea (CID 103767932) is 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea is CCN(C)C(=O)NCC1(CC)CCCC1.
What is the InChIKey of 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea?
The InChIKey is NXWWYJRZVFTKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(8-6-7-9-12)10-13-11(15)14(3)5-2/h4-10H2,1-3H3,(H,13,15).
What are the key properties of 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea?
1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea has a molecular weight of 212.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 103767932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).