1-cyclohexyl-3-(3-methylbutan-2-yl)urea

C12H24N2O — CID 4059169

IUPAC1-cyclohexyl-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyXWSLHQWUWZWPIP-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.66
Rot. Bonds3

About 1-cyclohexyl-3-(3-methylbutan-2-yl)urea

1-cyclohexyl-3-(3-methylbutan-2-yl)urea (PubChem CID 4059169) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methylbutan-2-yl)urea
PubChem CID4059169
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-cyclohexyl-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyXWSLHQWUWZWPIP-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-Dicyclohexylurea
CID 4277
1-Cyclohexyl-3-decyl-urea
CID 4359
1-Cyclohexyl-3-methylurea
CID 308344
1-Cyclohexyl-3-isobutylurea
CID 4323939
1-Cycloheptyl-3-cyclohexylurea
CID 844674
1-Cyclohexyl-3-dodecylurea
CID 4437430
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-Cyclohexyl-N'-(cyclohexylmethyl)urea
CID 4153324
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Cyclohexyl-3-tetradecyl-urea
CID 10936690
1-Cyclohexyl-3-(1,1,3,3-tetramethyl-butyl)-urea
CID 11139699

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-methylbutan-2-yl)urea (CID 4059169) is 1-cyclohexyl-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-methylbutan-2-yl)urea is CC(C)C(C)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-methylbutan-2-yl)urea?
The InChIKey is XWSLHQWUWZWPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(3-methylbutan-2-yl)urea?
1-cyclohexyl-3-(3-methylbutan-2-yl)urea has a molecular weight of 212.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 4059169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).