1-(3,3-dimethylbutyl)-1-methylurea

C8H18N2O — CID 20792955

IUPAC1-(3,3-dimethylbutyl)-1-methylurea
SMILESCN(CCC(C)(C)C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)5-6-10(4)7(9)11/h5-6H2,1-4H3,(H2,9,11)
InChIKeyDKGBUPZAKGISIG-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.43
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-1-methylurea

1-(3,3-dimethylbutyl)-1-methylurea (PubChem CID 20792955) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-1-methylurea.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-1-methylurea
PubChem CID20792955
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(3,3-dimethylbutyl)-1-methylurea
SMILESCN(CCC(C)(C)C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)5-6-10(4)7(9)11/h5-6H2,1-4H3,(H2,9,11)
InChIKeyDKGBUPZAKGISIG-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-1-methylurea?
The IUPAC name of 1-(3,3-dimethylbutyl)-1-methylurea (CID 20792955) is 1-(3,3-dimethylbutyl)-1-methylurea.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-1-methylurea?
The canonical SMILES for 1-(3,3-dimethylbutyl)-1-methylurea is CN(CCC(C)(C)C)C(N)=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)-1-methylurea?
The InChIKey is DKGBUPZAKGISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)5-6-10(4)7(9)11/h5-6H2,1-4H3,(H2,9,11).
What are the key properties of 1-(3,3-dimethylbutyl)-1-methylurea?
1-(3,3-dimethylbutyl)-1-methylurea has a molecular weight of 158.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-1-methylurea is sourced from PubChem (CID 20792955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).