1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea

C13H26N2O — CID 115569990

IUPAC1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)NC(C)(C)C)C1C
InChIInChI=1S/C13H26N2O/c1-9-7-6-8-11(10(9)2)14-12(16)15-13(3,4)5/h9-11H,6-8H2,1-5H3,(H2,14,15,16)
InChIKeyFBWLDYMXILUMPV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.91
Rot. Bonds1

About 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea

1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea (PubChem CID 115569990) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
PubChem CID115569990
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)NC(C)(C)C)C1C
InChIInChI=1S/C13H26N2O/c1-9-7-6-8-11(10(9)2)14-12(16)15-13(3,4)5/h9-11H,6-8H2,1-5H3,(H2,14,15,16)
InChIKeyFBWLDYMXILUMPV-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminocyclopentyl)-3-tert-butylurea
CID 63251704
N-(2,3-dimethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429431
1-tert-butyl-3-cyclobutylurea
CID 17217146
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
2-amino-2-cyclopropyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 54924834
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 11933094
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 11933092
1-(2,3-dimethylcyclohexyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437886
1-tert-butyl-3-(4-methylpiperidin-3-yl)urea
CID 63329745
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
1-tert-butyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)urea
CID 115585906
2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 65266273

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea?
The IUPAC name of 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea (CID 115569990) is 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea is CC1CCCC(NC(=O)NC(C)(C)C)C1C.
What is the InChIKey of 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea?
The InChIKey is FBWLDYMXILUMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-7-6-8-11(10(9)2)14-12(16)15-13(3,4)5/h9-11H,6-8H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea?
1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea has a molecular weight of 226.36 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea is sourced from PubChem (CID 115569990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).