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

C13H28N2O — CID 12820359

IUPAC1,1,3,3-tetra(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)14(10(3)4)13(16)15(11(5)6)12(7)8/h9-12H,1-8H3
InChIKeyTUUMZEPFCCXCEJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.34
Rot. Bonds4

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

1,1,3,3-tetra(propan-2-yl)urea (PubChem CID 12820359) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,1,3,3-tetra(propan-2-yl)urea.

Molecular Properties

Compound Name1,1,3,3-tetra(propan-2-yl)urea
PubChem CID12820359
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,1,3,3-tetra(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)14(10(3)4)13(16)15(11(5)6)12(7)8/h9-12H,1-8H3
InChIKeyTUUMZEPFCCXCEJ-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetra(propan-2-yl)urea?
The IUPAC name of 1,1,3,3-tetra(propan-2-yl)urea (CID 12820359) is 1,1,3,3-tetra(propan-2-yl)urea.
What is the SMILES notation for 1,1,3,3-tetra(propan-2-yl)urea?
The canonical SMILES for 1,1,3,3-tetra(propan-2-yl)urea is CC(C)N(C(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 1,1,3,3-tetra(propan-2-yl)urea?
The InChIKey is TUUMZEPFCCXCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-9(2)14(10(3)4)13(16)15(11(5)6)12(7)8/h9-12H,1-8H3.
What are the key properties of 1,1,3,3-tetra(propan-2-yl)urea?
1,1,3,3-tetra(propan-2-yl)urea has a molecular weight of 228.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetra(propan-2-yl)urea is sourced from PubChem (CID 12820359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).