1-cyclopropyl-3-(3,3-dimethylbutyl)urea

C10H20N2O — CID 115580158

IUPAC1-cyclopropyl-3-(3,3-dimethylbutyl)urea
SMILESCC(C)(C)CCNC(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)6-7-11-9(13)12-8-4-5-8/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyMETZYDSNZWSMML-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.88
Rot. Bonds3

About 1-cyclopropyl-3-(3,3-dimethylbutyl)urea

1-cyclopropyl-3-(3,3-dimethylbutyl)urea (PubChem CID 115580158) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,3-dimethylbutyl)urea
PubChem CID115580158
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-cyclopropyl-3-(3,3-dimethylbutyl)urea
SMILESCC(C)(C)CCNC(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)6-7-11-9(13)12-8-4-5-8/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyMETZYDSNZWSMML-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-3-(3,3-dimethylbutyl)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

1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831
4-(5,5-dimethylhexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000907
N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113056622
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347
1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
CID 115635300
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-(4-ethylcyclohexyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111505061
1-cyclopentyl-3-propylurea
CID 14343339
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
CID 107158915
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,3-dimethylbutyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3,3-dimethylbutyl)urea (CID 115580158) is 1-cyclopropyl-3-(3,3-dimethylbutyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,3-dimethylbutyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3,3-dimethylbutyl)urea is CC(C)(C)CCNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,3-dimethylbutyl)urea?
The InChIKey is METZYDSNZWSMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)6-7-11-9(13)12-8-4-5-8/h8H,4-7H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-cyclopropyl-3-(3,3-dimethylbutyl)urea?
1-cyclopropyl-3-(3,3-dimethylbutyl)urea has a molecular weight of 184.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,3-dimethylbutyl)urea is sourced from PubChem (CID 115580158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).