1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea

C13H27N3O — CID 106141204

IUPAC1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
SMILESCC(C)(CCN)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-13(2,8-9-14)10-15-12(17)16-11-6-4-3-5-7-11/h11H,3-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyAHBHJKUWBYHQNA-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.99
Rot. Bonds5

About 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea

1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea (PubChem CID 106141204) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
PubChem CID106141204
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
SMILESCC(C)(CCN)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-13(2,8-9-14)10-15-12(17)16-11-6-4-3-5-7-11/h11H,3-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyAHBHJKUWBYHQNA-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103461025
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
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CID 71787244
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
CID 60970162
N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
CID 119524542
N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
CID 119656351
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
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CID 145358709

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea?
The IUPAC name of 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea (CID 106141204) is 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea?
The canonical SMILES for 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea is CC(C)(CCN)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea?
The InChIKey is AHBHJKUWBYHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,8-9-14)10-15-12(17)16-11-6-4-3-5-7-11/h11H,3-10,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea?
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea has a molecular weight of 241.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea is sourced from PubChem (CID 106141204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).