1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea

C8H18FN3O — CID 142717407

IUPAC1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea
SMILESCN(C)CCCNC(=O)NCCF
InChIInChI=1S/C8H18FN3O/c1-12(2)7-3-5-10-8(13)11-6-4-9/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyHVFOTKWQKRAUOM-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.21
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea

1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea (PubChem CID 142717407) has the molecular formula C8H18FN3O and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea
PubChem CID142717407
Molecular FormulaC8H18FN3O
Molecular Weight191.25 g/mol
Exact Mass191.14
IUPAC Name1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea
SMILESCN(C)CCCNC(=O)NCCF
InChIInChI=1S/C8H18FN3O/c1-12(2)7-3-5-10-8(13)11-6-4-9/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyHVFOTKWQKRAUOM-UHFFFAOYSA-N
XLogP0.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.21
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea (CID 142717407) is 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea is CN(C)CCCNC(=O)NCCF.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea?
The InChIKey is HVFOTKWQKRAUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O/c1-12(2)7-3-5-10-8(13)11-6-4-9/h3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea?
1-[3-(dimethylamino)propyl]-3-(2-fluoroethyl)urea has a molecular weight of 191.25 g/mol, XLogP of 0.21, 6 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-(2-fluoroethyl)urea is sourced from PubChem (CID 142717407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).