1-methyl-3-(2-methylpropyl)urea

C6H14N2O — CID 4113674

IUPAC1-methyl-3-(2-methylpropyl)urea
SMILESCNC(=O)NCC(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)4-8-6(9)7-3/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyJLMRWMITMSWWCM-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-3-(2-methylpropyl)urea

1-methyl-3-(2-methylpropyl)urea (PubChem CID 4113674) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)urea
PubChem CID4113674
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-methyl-3-(2-methylpropyl)urea
SMILESCNC(=O)NCC(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)4-8-6(9)7-3/h5H,4H2,1-3H3,(H2,7,8,9)
InChIKeyJLMRWMITMSWWCM-UHFFFAOYSA-N
XLogP0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)urea?
The IUPAC name of 1-methyl-3-(2-methylpropyl)urea (CID 4113674) is 1-methyl-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)urea?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)urea is CNC(=O)NCC(C)C.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)urea?
The InChIKey is JLMRWMITMSWWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)4-8-6(9)7-3/h5H,4H2,1-3H3,(H2,7,8,9).
What are the key properties of 1-methyl-3-(2-methylpropyl)urea?
1-methyl-3-(2-methylpropyl)urea has a molecular weight of 130.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)urea is sourced from PubChem (CID 4113674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).