1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one

C10H16F3N3O — CID 103366628

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(CN)C(F)(F)F)c1=O
InChIInChI=1S/C10H16F3N3O/c1-2-3-15-4-5-16(9(15)17)7-8(6-14)10(11,12)13/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyNCAJFUNKOQMSDW-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.20
Rot. Bonds5

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one (PubChem CID 103366628) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one
PubChem CID103366628
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(CN)C(F)(F)F)c1=O
InChIInChI=1S/C10H16F3N3O/c1-2-3-15-4-5-16(9(15)17)7-8(6-14)10(11,12)13/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyNCAJFUNKOQMSDW-UHFFFAOYSA-N
XLogP1.20
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582357
3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
CID 103124913
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-ethylimidazol-2-one
CID 103366626
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
CID 103366627
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one
CID 103366629
2-[(3-Ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368979
3,3,3-Trifluoro-2-[(3-methyl-2-oxoimidazol-1-yl)methyl]propanethioamide
CID 103368980
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-propan-2-ylimidazol-2-one
CID 113807414
3,3,3-Trifluoro-2-[(2-oxo-3-propylimidazol-1-yl)methyl]propanethioamide
CID 113807888
ethane;3-(2-methylpropyl)-1H-imidazol-2-one
CID 141950428
1-(3-Amino-2-methylpropyl)-3-propylimidazol-2-one
CID 80579444
1-(3-Amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one
CID 80579448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one (CID 103366628) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one is CCCn1ccn(CC(CN)C(F)(F)F)c1=O.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one?
The InChIKey is NCAJFUNKOQMSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-3-15-4-5-16(9(15)17)7-8(6-14)10(11,12)13/h4-5,8H,2-3,6-7,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one has a molecular weight of 251.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one is sourced from PubChem (CID 103366628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).