1-[3-(dimethylamino)propyl]-3-pentylurea

C11H25N3O — CID 108988347

IUPAC1-[3-(dimethylamino)propyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCN(C)C
InChIInChI=1S/C11H25N3O/c1-4-5-6-8-12-11(15)13-9-7-10-14(2)3/h4-10H2,1-3H3,(H2,12,13,15)
InChIKeyMLWYYORTHQXOQE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.43
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-3-pentylurea

1-[3-(dimethylamino)propyl]-3-pentylurea (PubChem CID 108988347) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-pentylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-pentylurea
PubChem CID108988347
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-[3-(dimethylamino)propyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCN(C)C
InChIInChI=1S/C11H25N3O/c1-4-5-6-8-12-11(15)13-9-7-10-14(2)3/h4-10H2,1-3H3,(H2,12,13,15)
InChIKeyMLWYYORTHQXOQE-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
CID 101389014
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-[2-[bis[2-(octylcarbamoylamino)ethyl]amino]ethyl]-3-octylurea
CID 10555741
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
1-(2-aminoethyl)-3-pentylurea
CID 87091814
1-propyl-3-tridecylurea
CID 10934987
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-pentylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-pentylurea (CID 108988347) is 1-[3-(dimethylamino)propyl]-3-pentylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-pentylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-pentylurea is CCCCCNC(=O)NCCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-pentylurea?
The InChIKey is MLWYYORTHQXOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-5-6-8-12-11(15)13-9-7-10-14(2)3/h4-10H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-pentylurea?
1-[3-(dimethylamino)propyl]-3-pentylurea has a molecular weight of 215.34 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-pentylurea is sourced from PubChem (CID 108988347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).