1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea

C10H20F3N3O — CID 114149042

IUPAC1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)(CCCN)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-9(2,4-3-5-14)6-15-8(17)16-7-10(11,12)13/h3-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyGDUHSSZODJKUSY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.61
Rot. Bonds6

About 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea

1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 114149042) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID114149042
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)(CCCN)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-9(2,4-3-5-14)6-15-8(17)16-7-10(11,12)13/h3-7,14H2,1-2H3,(H2,15,16,17)
InChIKeyGDUHSSZODJKUSY-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea (CID 114149042) is 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea is CC(C)(CCCN)CNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GDUHSSZODJKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-9(2,4-3-5-14)6-15-8(17)16-7-10(11,12)13/h3-7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea?
1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 255.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 114149042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).