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

C7H16N2O — CID 3059921

IUPAC1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(N)=O)C(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3,(H2,8,10)
InChIKeyORHBGEQYIZTYHV-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.18
Rot. Bonds2

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

1,1-di(propan-2-yl)urea (PubChem CID 3059921) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name1,1-di(propan-2-yl)urea
PubChem CID3059921
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(N)=O)C(C)C
InChIInChI=1S/C7H16N2O/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3,(H2,8,10)
InChIKeyORHBGEQYIZTYHV-UHFFFAOYSA-N
XLogP1.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)urea?
The IUPAC name of 1,1-di(propan-2-yl)urea (CID 3059921) is 1,1-di(propan-2-yl)urea.
What is the SMILES notation for 1,1-di(propan-2-yl)urea?
The canonical SMILES for 1,1-di(propan-2-yl)urea is CC(C)N(C(N)=O)C(C)C.
What is the InChIKey of 1,1-di(propan-2-yl)urea?
The InChIKey is ORHBGEQYIZTYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5(2)9(6(3)4)7(8)10/h5-6H,1-4H3,(H2,8,10).
What are the key properties of 1,1-di(propan-2-yl)urea?
1,1-di(propan-2-yl)urea has a molecular weight of 144.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)urea is sourced from PubChem (CID 3059921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).