1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea

C12H24N2O — CID 22749915

IUPAC1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyAOYZWYLJOYNFKF-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.71
Rot. Bonds2

About 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea

1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea (PubChem CID 22749915) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea
PubChem CID22749915
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyAOYZWYLJOYNFKF-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea?
The IUPAC name of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea (CID 22749915) is 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea.
What is the SMILES notation for 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea?
The canonical SMILES for 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea is CC(C)N(C(=O)N(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea?
The InChIKey is AOYZWYLJOYNFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea?
1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea has a molecular weight of 212.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylurea is sourced from PubChem (CID 22749915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).