3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea

C11H22N2O — CID 103764918

IUPAC3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
SMILESCCC1(CNC(=O)N(C)C)CCCC1
InChIInChI=1S/C11H22N2O/c1-4-11(7-5-6-8-11)9-12-10(14)13(2)3/h4-9H2,1-3H3,(H,12,14)
InChIKeySDUFAECCXGMGCM-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds3

About 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea

3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea (PubChem CID 103764918) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
PubChem CID103764918
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
SMILESCCC1(CNC(=O)N(C)C)CCCC1
InChIInChI=1S/C11H22N2O/c1-4-11(7-5-6-8-11)9-12-10(14)13(2)3/h4-9H2,1-3H3,(H,12,14)
InChIKeySDUFAECCXGMGCM-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
CID 103767932
1,1-diethyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103741057
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
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
4-[(1-ethylcyclopentyl)methylamino]-N,N-dimethylbutanamide
CID 114125198
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163219
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
CID 113258029
3-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]pentanamide
CID 114125108

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea (CID 103764918) is 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea is CCC1(CNC(=O)N(C)C)CCCC1.
What is the InChIKey of 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea?
The InChIKey is SDUFAECCXGMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(7-5-6-8-11)9-12-10(14)13(2)3/h4-9H2,1-3H3,(H,12,14).
What are the key properties of 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea?
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea has a molecular weight of 198.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 103764918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).