3-cyclohexyl-1,1-bis(2-methylpropyl)urea

C15H30N2O — CID 4078219

IUPAC3-cyclohexyl-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyOSXMFPPMHXZCOB-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.64
Rot. Bonds5

About 3-cyclohexyl-1,1-bis(2-methylpropyl)urea

3-cyclohexyl-1,1-bis(2-methylpropyl)urea (PubChem CID 4078219) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-bis(2-methylpropyl)urea
PubChem CID4078219
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-cyclohexyl-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyOSXMFPPMHXZCOB-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-Dicyclohexylurea
CID 4277
1-Cyclohexyl-3-methylurea
CID 308344
1-Cyclohexyl-3-isobutylurea
CID 4323939
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
1-Cyclohexyl-3-hexyl urea
CID 5151394
N-cyclohexyl-1-pyrrolidinecarboxamide
CID 327479
1-Tert-butyl-3-cyclohexylurea
CID 306672
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-cyclohexyl-1,1-bis(2-methylpropyl)urea (CID 4078219) is 3-cyclohexyl-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-cyclohexyl-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-cyclohexyl-1,1-bis(2-methylpropyl)urea is CC(C)CN(CC(C)C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-bis(2-methylpropyl)urea?
The InChIKey is OSXMFPPMHXZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 3-cyclohexyl-1,1-bis(2-methylpropyl)urea?
3-cyclohexyl-1,1-bis(2-methylpropyl)urea has a molecular weight of 254.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 4078219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).