1-cyclohexyl-1-propylurea

C10H20N2O — CID 90968182

IUPAC1-cyclohexyl-1-propylurea
SMILESCCCN(C(N)=O)C1CCCCC1
InChIInChI=1S/C10H20N2O/c1-2-8-12(10(11)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,13)
InChIKeyGJIREQZOZFOOGQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclohexyl-1-propylurea

1-cyclohexyl-1-propylurea (PubChem CID 90968182) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclohexyl-1-propylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-propylurea
PubChem CID90968182
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-cyclohexyl-1-propylurea
SMILESCCCN(C(N)=O)C1CCCCC1
InChIInChI=1S/C10H20N2O/c1-2-8-12(10(11)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,13)
InChIKeyGJIREQZOZFOOGQ-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-propylurea?
The IUPAC name of 1-cyclohexyl-1-propylurea (CID 90968182) is 1-cyclohexyl-1-propylurea.
What is the SMILES notation for 1-cyclohexyl-1-propylurea?
The canonical SMILES for 1-cyclohexyl-1-propylurea is CCCN(C(N)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-propylurea?
The InChIKey is GJIREQZOZFOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-8-12(10(11)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,11,13).
What are the key properties of 1-cyclohexyl-1-propylurea?
1-cyclohexyl-1-propylurea has a molecular weight of 184.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-propylurea is sourced from PubChem (CID 90968182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).