1-(4,4-dimethylcyclohexyl)-3-propylurea

C12H24N2O — CID 115660888

IUPAC1-(4,4-dimethylcyclohexyl)-3-propylurea
SMILESCCCNC(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-4-9-13-11(15)14-10-5-7-12(2,3)8-6-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyNVDUXAPLLBASOR-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.66
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-3-propylurea

1-(4,4-dimethylcyclohexyl)-3-propylurea (PubChem CID 115660888) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-propylurea.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-propylurea
PubChem CID115660888
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-propylurea
SMILESCCCNC(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C12H24N2O/c1-4-9-13-11(15)14-10-5-7-12(2,3)8-6-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyNVDUXAPLLBASOR-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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-propylurea?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-propylurea (CID 115660888) is 1-(4,4-dimethylcyclohexyl)-3-propylurea.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-propylurea?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-propylurea is CCCNC(=O)NC1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-propylurea?
The InChIKey is NVDUXAPLLBASOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-9-13-11(15)14-10-5-7-12(2,3)8-6-10/h10H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-propylurea?
1-(4,4-dimethylcyclohexyl)-3-propylurea 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-(4,4-dimethylcyclohexyl)-3-propylurea is sourced from PubChem (CID 115660888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).