4-methylpentylurea

C7H16N2O — CID 20600822

IUPAC4-methylpentylurea
SMILESCC(C)CCCNC(N)=O
InChIInChI=1S/C7H16N2O/c1-6(2)4-3-5-9-7(8)10/h6H,3-5H2,1-2H3,(H3,8,9,10)
InChIKeySFJVFGFIVNSLAT-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.09
Rot. Bonds4

About 4-methylpentylurea

4-methylpentylurea (PubChem CID 20600822) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-methylpentylurea.

Molecular Properties

Compound Name4-methylpentylurea
PubChem CID20600822
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-methylpentylurea
SMILESCC(C)CCCNC(N)=O
InChIInChI=1S/C7H16N2O/c1-6(2)4-3-5-9-7(8)10/h6H,3-5H2,1-2H3,(H3,8,9,10)
InChIKeySFJVFGFIVNSLAT-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentylurea?
The IUPAC name of 4-methylpentylurea (CID 20600822) is 4-methylpentylurea.
What is the SMILES notation for 4-methylpentylurea?
The canonical SMILES for 4-methylpentylurea is CC(C)CCCNC(N)=O.
What is the InChIKey of 4-methylpentylurea?
The InChIKey is SFJVFGFIVNSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)4-3-5-9-7(8)10/h6H,3-5H2,1-2H3,(H3,8,9,10).
What are the key properties of 4-methylpentylurea?
4-methylpentylurea has a molecular weight of 144.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentylurea is sourced from PubChem (CID 20600822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).