1,1-dicyclohexyl-3-cyclopropylurea

C16H28N2O — CID 116653816

IUPAC1,1-dicyclohexyl-3-cyclopropylurea
SMILESO=C(NC1CC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O/c19-16(17-13-11-12-13)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2,(H,17,19)
InChIKeySTYMBBUNZNKTGH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.83
Rot. Bonds3

About 1,1-dicyclohexyl-3-cyclopropylurea

1,1-dicyclohexyl-3-cyclopropylurea (PubChem CID 116653816) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-cyclopropylurea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-cyclopropylurea
PubChem CID116653816
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1,1-dicyclohexyl-3-cyclopropylurea
SMILESO=C(NC1CC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O/c19-16(17-13-11-12-13)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2,(H,17,19)
InChIKeySTYMBBUNZNKTGH-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874782
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
1-cyclopentyl-3-cyclopropyl-1-(2-methylpropyl)urea
CID 115597168
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea
CID 67344292
1-(carbamoylamino)sulfanyl-1,3-dicyclohexylurea
CID 87475337
3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
CID 79120718
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883
N,N-dicyclohexyl-3-(cyclopropylamino)propanamide
CID 60842293
CID 87476940
CID 87476940

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-cyclopropylurea?
The IUPAC name of 1,1-dicyclohexyl-3-cyclopropylurea (CID 116653816) is 1,1-dicyclohexyl-3-cyclopropylurea.
What is the SMILES notation for 1,1-dicyclohexyl-3-cyclopropylurea?
The canonical SMILES for 1,1-dicyclohexyl-3-cyclopropylurea is O=C(NC1CC1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-cyclopropylurea?
The InChIKey is STYMBBUNZNKTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(17-13-11-12-13)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2,(H,17,19).
What are the key properties of 1,1-dicyclohexyl-3-cyclopropylurea?
1,1-dicyclohexyl-3-cyclopropylurea has a molecular weight of 264.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-cyclopropylurea is sourced from PubChem (CID 116653816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).