3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea

C12H24N2O — CID 115590479

IUPAC3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
SMILESCCC1CCC(CNC(=O)N(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-10-5-7-11(8-6-10)9-13-12(15)14(2)3/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyOQEFEJUBMYKTBE-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds3

About 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea

3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea (PubChem CID 115590479) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
PubChem CID115590479
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
SMILESCCC1CCC(CNC(=O)N(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-10-5-7-11(8-6-10)9-13-12(15)14(2)3/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyOQEFEJUBMYKTBE-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 75369748
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 60971476
3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
CID 83116093
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate
CID 79345625
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea (CID 115590479) is 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea is CCC1CCC(CNC(=O)N(C)C)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea?
The InChIKey is OQEFEJUBMYKTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10-5-7-11(8-6-10)9-13-12(15)14(2)3/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea?
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea has a molecular weight of 212.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 115590479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).