1-ethyl-1-propylurea

C6H14N2O — CID 3032115

IUPAC1-ethyl-1-propylurea
SMILESCCCN(CC)C(N)=O
InChIInChI=1S/C6H14N2O/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3,(H2,7,9)
InChIKeyZLUJWMGONDFTMN-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.80
Rot. Bonds3

About 1-ethyl-1-propylurea

1-ethyl-1-propylurea (PubChem CID 3032115) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-ethyl-1-propylurea.

Molecular Properties

Compound Name1-ethyl-1-propylurea
PubChem CID3032115
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-ethyl-1-propylurea
SMILESCCCN(CC)C(N)=O
InChIInChI=1S/C6H14N2O/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3,(H2,7,9)
InChIKeyZLUJWMGONDFTMN-UHFFFAOYSA-N
XLogP0.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-propylurea?
The IUPAC name of 1-ethyl-1-propylurea (CID 3032115) is 1-ethyl-1-propylurea.
What is the SMILES notation for 1-ethyl-1-propylurea?
The canonical SMILES for 1-ethyl-1-propylurea is CCCN(CC)C(N)=O.
What is the InChIKey of 1-ethyl-1-propylurea?
The InChIKey is ZLUJWMGONDFTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3,(H2,7,9).
What are the key properties of 1-ethyl-1-propylurea?
1-ethyl-1-propylurea has a molecular weight of 130.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-propylurea is sourced from PubChem (CID 3032115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).