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

C10H22N2O — CID 12829063

IUPAC1,1,3-tri(propan-2-yl)urea
SMILESCC(C)NC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)11-10(13)12(8(3)4)9(5)6/h7-9H,1-6H3,(H,11,13)
InChIKeyRAQKUUNDXWNXMX-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.22
Rot. Bonds3

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

1,1,3-tri(propan-2-yl)urea (PubChem CID 12829063) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,1,3-tri(propan-2-yl)urea.

Molecular Properties

Compound Name1,1,3-tri(propan-2-yl)urea
PubChem CID12829063
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1,1,3-tri(propan-2-yl)urea
SMILESCC(C)NC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)11-10(13)12(8(3)4)9(5)6/h7-9H,1-6H3,(H,11,13)
InChIKeyRAQKUUNDXWNXMX-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,3-tri(propan-2-yl)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 1,1,3-tri(propan-2-yl)urea?
The IUPAC name of 1,1,3-tri(propan-2-yl)urea (CID 12829063) is 1,1,3-tri(propan-2-yl)urea.
What is the SMILES notation for 1,1,3-tri(propan-2-yl)urea?
The canonical SMILES for 1,1,3-tri(propan-2-yl)urea is CC(C)NC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 1,1,3-tri(propan-2-yl)urea?
The InChIKey is RAQKUUNDXWNXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(2)11-10(13)12(8(3)4)9(5)6/h7-9H,1-6H3,(H,11,13).
What are the key properties of 1,1,3-tri(propan-2-yl)urea?
1,1,3-tri(propan-2-yl)urea has a molecular weight of 186.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tri(propan-2-yl)urea is sourced from PubChem (CID 12829063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).