1,1-dimethyl-3-(3-methylpentan-3-yl)urea

C9H20N2O — CID 103661863

IUPAC1,1-dimethyl-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-6-9(3,7-2)10-8(12)11(4)5/h6-7H2,1-5H3,(H,10,12)
InChIKeyQJXWXJGMKGUKPW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.84
Rot. Bonds3

About 1,1-dimethyl-3-(3-methylpentan-3-yl)urea

1,1-dimethyl-3-(3-methylpentan-3-yl)urea (PubChem CID 103661863) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methylpentan-3-yl)urea
PubChem CID103661863
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1,1-dimethyl-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-6-9(3,7-2)10-8(12)11(4)5/h6-7H2,1-5H3,(H,10,12)
InChIKeyQJXWXJGMKGUKPW-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-3-(3-methylpentan-3-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

Related Compounds

3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
CID 79154540
3-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,1-dimethylurea
CID 103933635
1,1-dimethyl-3-(trifluoromethyl)urea
CID 174290727
2-[3-methylpentan-3-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 106330660
methyl 2-(3-methylpentan-3-ylamino)-2-oxoacetate
CID 106330975
2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
2-methylidene-N-(3-methylpentan-3-yl)but-3-enamide
CID 134386849

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methylpentan-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methylpentan-3-yl)urea (CID 103661863) is 1,1-dimethyl-3-(3-methylpentan-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methylpentan-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methylpentan-3-yl)urea is CCC(C)(CC)NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-(3-methylpentan-3-yl)urea?
The InChIKey is QJXWXJGMKGUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-9(3,7-2)10-8(12)11(4)5/h6-7H2,1-5H3,(H,10,12).
What are the key properties of 1,1-dimethyl-3-(3-methylpentan-3-yl)urea?
1,1-dimethyl-3-(3-methylpentan-3-yl)urea has a molecular weight of 172.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methylpentan-3-yl)urea is sourced from PubChem (CID 103661863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).