1,3-dipentylurea

C11H24N2O — CID 12660908

IUPAC1,3-dipentylurea
SMILESCCCCCNC(=O)NCCCCC
InChIInChI=1S/C11H24N2O/c1-3-5-7-9-12-11(14)13-10-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)
InChIKeyRLTCCPGGBDHZLJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.67
Rot. Bonds8

About 1,3-dipentylurea

1,3-dipentylurea (PubChem CID 12660908) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,3-dipentylurea.

Molecular Properties

Compound Name1,3-dipentylurea
PubChem CID12660908
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,3-dipentylurea
SMILESCCCCCNC(=O)NCCCCC
InChIInChI=1S/C11H24N2O/c1-3-5-7-9-12-11(14)13-10-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)
InChIKeyRLTCCPGGBDHZLJ-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.67
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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Related Compounds

Butylurea
CID 11595
Dibutylurea
CID 74523
1,3-Bis[3-(dimethylamino)propyl]urea
CID 104163
1,1'-Hexamethylenebis (3,3-dimethylurea)
CID 99644
1-Cyclohexyl-3-methylurea
CID 308344
Urea, N-dodecyl-
CID 75091
Heptylurea
CID 39357
Hexylurea
CID 75092
N-Octylurea
CID 200490
Octadecylurea
CID 75090
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023

Frequently Asked Questions

What is the IUPAC name of 1,3-dipentylurea?
The IUPAC name of 1,3-dipentylurea (CID 12660908) is 1,3-dipentylurea.
What is the SMILES notation for 1,3-dipentylurea?
The canonical SMILES for 1,3-dipentylurea is CCCCCNC(=O)NCCCCC.
What is the InChIKey of 1,3-dipentylurea?
The InChIKey is RLTCCPGGBDHZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-5-7-9-12-11(14)13-10-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14).
What are the key properties of 1,3-dipentylurea?
1,3-dipentylurea has a molecular weight of 200.33 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentylurea is sourced from PubChem (CID 12660908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).