1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea

C12H22F3N3O — CID 139506013

IUPAC1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea
SMILESCNC(C)CNC(=O)NC1CCC(C)(C(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-8(16-3)7-17-10(19)18-9-4-5-11(2,6-9)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyQMUVOGDAAIYYPL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea

1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea (PubChem CID 139506013) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea
PubChem CID139506013
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea
SMILESCNC(C)CNC(=O)NC1CCC(C)(C(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-8(16-3)7-17-10(19)18-9-4-5-11(2,6-9)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyQMUVOGDAAIYYPL-UHFFFAOYSA-N
XLogP2.01
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea?
The IUPAC name of 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea (CID 139506013) is 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea.
What is the SMILES notation for 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea?
The canonical SMILES for 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea is CNC(C)CNC(=O)NC1CCC(C)(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea?
The InChIKey is QMUVOGDAAIYYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-8(16-3)7-17-10(19)18-9-4-5-11(2,6-9)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea?
1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea has a molecular weight of 281.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)propyl]-3-[3-methyl-3-(trifluoromethyl)cyclopentyl]urea is sourced from PubChem (CID 139506013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).