1-(2,4-dimethylcyclohexyl)-3-ethylurea

C11H22N2O — CID 115626414

IUPAC1-(2,4-dimethylcyclohexyl)-3-ethylurea
SMILESCCNC(=O)NC1CCC(C)CC1C
InChIInChI=1S/C11H22N2O/c1-4-12-11(14)13-10-6-5-8(2)7-9(10)3/h8-10H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyLMBDIAXGCKMDIN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.13
Rot. Bonds2

About 1-(2,4-dimethylcyclohexyl)-3-ethylurea

1-(2,4-dimethylcyclohexyl)-3-ethylurea (PubChem CID 115626414) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-3-ethylurea
PubChem CID115626414
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2,4-dimethylcyclohexyl)-3-ethylurea
SMILESCCNC(=O)NC1CCC(C)CC1C
InChIInChI=1S/C11H22N2O/c1-4-12-11(14)13-10-6-5-8(2)7-9(10)3/h8-10H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyLMBDIAXGCKMDIN-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
3-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175117
1-(2,4-dimethylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 111123431
3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
CID 115625378
(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827924
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)-2-methylpropanamide
CID 63998973
2-[(2,4-dimethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 63999990
(2S)-4-amino-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 63998195
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 107569791
(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63997378

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-ethylurea?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-ethylurea (CID 115626414) is 1-(2,4-dimethylcyclohexyl)-3-ethylurea.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-3-ethylurea?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-3-ethylurea is CCNC(=O)NC1CCC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-3-ethylurea?
The InChIKey is LMBDIAXGCKMDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-12-11(14)13-10-6-5-8(2)7-9(10)3/h8-10H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-3-ethylurea?
1-(2,4-dimethylcyclohexyl)-3-ethylurea has a molecular weight of 198.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-3-ethylurea is sourced from PubChem (CID 115626414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).