3-methyl-1-pentyl-1-propylurea

C10H22N2O — CID 134269758

IUPAC3-methyl-1-pentyl-1-propylurea
SMILESCCCCCN(CCC)C(=O)NC
InChIInChI=1S/C10H22N2O/c1-4-6-7-9-12(8-5-2)10(13)11-3/h4-9H2,1-3H3,(H,11,13)
InChIKeyHJTMVYIORCOYDZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.23
Rot. Bonds6

About 3-methyl-1-pentyl-1-propylurea

3-methyl-1-pentyl-1-propylurea (PubChem CID 134269758) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-methyl-1-pentyl-1-propylurea.

Molecular Properties

Compound Name3-methyl-1-pentyl-1-propylurea
PubChem CID134269758
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-methyl-1-pentyl-1-propylurea
SMILESCCCCCN(CCC)C(=O)NC
InChIInChI=1S/C10H22N2O/c1-4-6-7-9-12(8-5-2)10(13)11-3/h4-9H2,1-3H3,(H,11,13)
InChIKeyHJTMVYIORCOYDZ-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
1-octyl-1,3-dipropylurea
CID 87897947
1,1,3-tri(undecyl)urea
CID 168918847
methane;1,1,3-trioctylurea
CID 163789497
N,N,N',N'-tetrahexyloxamide
CID 6424911
CID 177477585
CID 177477585
1,1-dihexyl-3-methylthiourea
CID 19653408
decyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 87240984
[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
CID 87240875
N-(dipentylcarbamoyl)-2,2,2-trifluoroacetamide
CID 71671979
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentyl-1-propylurea?
The IUPAC name of 3-methyl-1-pentyl-1-propylurea (CID 134269758) is 3-methyl-1-pentyl-1-propylurea.
What is the SMILES notation for 3-methyl-1-pentyl-1-propylurea?
The canonical SMILES for 3-methyl-1-pentyl-1-propylurea is CCCCCN(CCC)C(=O)NC.
What is the InChIKey of 3-methyl-1-pentyl-1-propylurea?
The InChIKey is HJTMVYIORCOYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-7-9-12(8-5-2)10(13)11-3/h4-9H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-1-pentyl-1-propylurea?
3-methyl-1-pentyl-1-propylurea has a molecular weight of 186.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentyl-1-propylurea is sourced from PubChem (CID 134269758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).