3-methyl-1,1-di(propan-2-yl)urea

C8H18N2O — CID 12829062

IUPAC3-methyl-1,1-di(propan-2-yl)urea
SMILESCNC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)10(7(3)4)8(11)9-5/h6-7H,1-5H3,(H,9,11)
InChIKeyKLQJNOCNJVNMGM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.44
Rot. Bonds2

About 3-methyl-1,1-di(propan-2-yl)urea

3-methyl-1,1-di(propan-2-yl)urea (PubChem CID 12829062) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methyl-1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name3-methyl-1,1-di(propan-2-yl)urea
PubChem CID12829062
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-methyl-1,1-di(propan-2-yl)urea
SMILESCNC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)10(7(3)4)8(11)9-5/h6-7H,1-5H3,(H,9,11)
InChIKeyKLQJNOCNJVNMGM-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-di(propan-2-yl)urea?
The IUPAC name of 3-methyl-1,1-di(propan-2-yl)urea (CID 12829062) is 3-methyl-1,1-di(propan-2-yl)urea.
What is the SMILES notation for 3-methyl-1,1-di(propan-2-yl)urea?
The canonical SMILES for 3-methyl-1,1-di(propan-2-yl)urea is CNC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-1,1-di(propan-2-yl)urea?
The InChIKey is KLQJNOCNJVNMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10(7(3)4)8(11)9-5/h6-7H,1-5H3,(H,9,11).
What are the key properties of 3-methyl-1,1-di(propan-2-yl)urea?
3-methyl-1,1-di(propan-2-yl)urea has a molecular weight of 158.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-di(propan-2-yl)urea is sourced from PubChem (CID 12829062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).