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

C6H14N2O — CID 12829061

IUPAC1,1-dimethyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)7-6(9)8(3)4/h5H,1-4H3,(H,7,9)
InChIKeyCJHQLQACGQHOSJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.67
Rot. Bonds1

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

1,1-dimethyl-3-propan-2-ylurea (PubChem CID 12829061) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,1-dimethyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-propan-2-ylurea
PubChem CID12829061
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1,1-dimethyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)7-6(9)8(3)4/h5H,1-4H3,(H,7,9)
InChIKeyCJHQLQACGQHOSJ-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-propan-2-ylurea 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-dimethyl-3-propan-2-ylurea?
The IUPAC name of 1,1-dimethyl-3-propan-2-ylurea (CID 12829061) is 1,1-dimethyl-3-propan-2-ylurea.
What is the SMILES notation for 1,1-dimethyl-3-propan-2-ylurea?
The canonical SMILES for 1,1-dimethyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-propan-2-ylurea?
The InChIKey is CJHQLQACGQHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)7-6(9)8(3)4/h5H,1-4H3,(H,7,9).
What are the key properties of 1,1-dimethyl-3-propan-2-ylurea?
1,1-dimethyl-3-propan-2-ylurea has a molecular weight of 130.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-propan-2-ylurea is sourced from PubChem (CID 12829061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).