1,3-di(propan-2-yl)urea

C7H16N2O — CID 20084

IUPAC1,3-di(propan-2-yl)urea
SMILESCC(C)NC(=O)NC(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyBGRWYRAHAFMIBJ-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.10
Rot. Bonds2

About 1,3-di(propan-2-yl)urea

1,3-di(propan-2-yl)urea (PubChem CID 20084) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1,3-di(propan-2-yl)urea
PubChem CID20084
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1,3-di(propan-2-yl)urea
SMILESCC(C)NC(=O)NC(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKeyBGRWYRAHAFMIBJ-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)urea?
The IUPAC name of 1,3-di(propan-2-yl)urea (CID 20084) is 1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1,3-di(propan-2-yl)urea?
The canonical SMILES for 1,3-di(propan-2-yl)urea is CC(C)NC(=O)NC(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)urea?
The InChIKey is BGRWYRAHAFMIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10).
What are the key properties of 1,3-di(propan-2-yl)urea?
1,3-di(propan-2-yl)urea has a molecular weight of 144.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)urea is sourced from PubChem (CID 20084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).