1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea

C12H24N2O — CID 12929129

IUPAC1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea
SMILESCC1CC(NC(=O)N(C)C)CC(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-9-6-10(8-12(2,3)7-9)13-11(15)14(4)5/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeyWVUAJAPCTAVAEP-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds1

About 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea

1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea (PubChem CID 12929129) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea
PubChem CID12929129
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea
SMILESCC1CC(NC(=O)N(C)C)CC(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-9-6-10(8-12(2,3)7-9)13-11(15)14(4)5/h9-10H,6-8H2,1-5H3,(H,13,15)
InChIKeyWVUAJAPCTAVAEP-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

1-Cyclohexyl-3-(1,1,3,3-tetramethyl-butyl)-urea
CID 11139699
N'-[3-[[[(Dimethylamino)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-N,N-dimethyl-urea
CID 21155941
Urea, 1-(2-chloroethyl)-3-(3,5-dimethylcyclohexyl)-
CID 294118
N-Cyclohexyl-N'-(3-propylhexan-2-yl)carbamimidic acid
CID 3040316
N-Cyclohexyl-N'-(1,2,2-trimethylpropyl)urea
CID 4610951
Ethylhexyl cyclohexyl urea
CID 4657034
(2-Methylcyclohexyl)urea
CID 3345444
N-Cyclohexyl-N'-(1,3-dimethylbutyl)urea
CID 4123670
N-Cyclohexyl-N'-(1,5-dimethylhexyl)urea
CID 4423619
rac-3-methyl-1-((1R,2S)-2-methylcyclohexyl)urea
CID 138008216
1-(4-Ethylcyclohexyl)-3-propylurea
CID 6470789
1-(4,4-Dimethylcyclohexyl)-3-(2-fluoroethyl)urea
CID 279450

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea (CID 12929129) is 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea is CC1CC(NC(=O)N(C)C)CC(C)(C)C1.
What is the InChIKey of 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea?
The InChIKey is WVUAJAPCTAVAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-6-10(8-12(2,3)7-9)13-11(15)14(4)5/h9-10H,6-8H2,1-5H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea?
1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea has a molecular weight of 212.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3,3,5-trimethylcyclohexyl)urea is sourced from PubChem (CID 12929129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).