1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea

C10H22N2O — CID 88894980

IUPAC1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea
SMILESCC(N(C)C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-8(10(2,3)4)12(7)9(13)11(5)6/h8H,1-7H3
InChIKeyVTWDDBOWUBUGGE-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.03
Rot. Bonds1

About 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea

1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea (PubChem CID 88894980) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea
PubChem CID88894980
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea
SMILESCC(N(C)C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-8(10(2,3)4)12(7)9(13)11(5)6/h8H,1-7H3
InChIKeyVTWDDBOWUBUGGE-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea 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-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea (CID 88894980) is 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea is CC(N(C)C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea?
The InChIKey is VTWDDBOWUBUGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(10(2,3)4)12(7)9(13)11(5)6/h8H,1-7H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea?
1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea has a molecular weight of 186.30 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-1,3,3-trimethylurea is sourced from PubChem (CID 88894980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).