1,1-dimethyl-3-propylurea

C6H14N2O — CID 11593439

IUPAC1,1-dimethyl-3-propylurea
SMILESCCCNC(=O)N(C)C
InChIInChI=1S/C6H14N2O/c1-4-5-7-6(9)8(2)3/h4-5H2,1-3H3,(H,7,9)
InChIKeyLZJHACNNMBYMSO-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.67
Rot. Bonds2

About 1,1-dimethyl-3-propylurea

1,1-dimethyl-3-propylurea (PubChem CID 11593439) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,1-dimethyl-3-propylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-propylurea
PubChem CID11593439
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1,1-dimethyl-3-propylurea
SMILESCCCNC(=O)N(C)C
InChIInChI=1S/C6H14N2O/c1-4-5-7-6(9)8(2)3/h4-5H2,1-3H3,(H,7,9)
InChIKeyLZJHACNNMBYMSO-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-propylurea?
The IUPAC name of 1,1-dimethyl-3-propylurea (CID 11593439) is 1,1-dimethyl-3-propylurea.
What is the SMILES notation for 1,1-dimethyl-3-propylurea?
The canonical SMILES for 1,1-dimethyl-3-propylurea is CCCNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-propylurea?
The InChIKey is LZJHACNNMBYMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4-5-7-6(9)8(2)3/h4-5H2,1-3H3,(H,7,9).
What are the key properties of 1,1-dimethyl-3-propylurea?
1,1-dimethyl-3-propylurea has a molecular weight of 130.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-propylurea is sourced from PubChem (CID 11593439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).