1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea

C12H22N2O — CID 174355641

IUPAC1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea
SMILESC=C1CCC[C@@H](NC(=O)NCC(C)C)C1
InChIInChI=1S/C12H22N2O/c1-9(2)8-13-12(15)14-11-6-4-5-10(3)7-11/h9,11H,3-8H2,1-2H3,(H2,13,14,15)/t11-/m1/s1
InChIKeyQMPIYAVKVBSNGG-LLVKDONJSA-N
MW210.32 g/mol
LogP2.44
Rot. Bonds3

About 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea

1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea (PubChem CID 174355641) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea
PubChem CID174355641
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea
SMILESC=C1CCC[C@@H](NC(=O)NCC(C)C)C1
InChIInChI=1S/C12H22N2O/c1-9(2)8-13-12(15)14-11-6-4-5-10(3)7-11/h9,11H,3-8H2,1-2H3,(H2,13,14,15)/t11-/m1/s1
InChIKeyQMPIYAVKVBSNGG-LLVKDONJSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea (CID 174355641) is 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea is C=C1CCC[C@@H](NC(=O)NCC(C)C)C1.
What is the InChIKey of 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea?
The InChIKey is QMPIYAVKVBSNGG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)8-13-12(15)14-11-6-4-5-10(3)7-11/h9,11H,3-8H2,1-2H3,(H2,13,14,15)/t11-/m1/s1.
What are the key properties of 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea?
1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea has a molecular weight of 210.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 174355641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).