N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine

C9H13F2N3 — CID 165466349

IUPACN-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine
SMILESFC(F)(CNC1CC1)Cn1ccnc1
InChIInChI=1S/C9H13F2N3/c10-9(11,5-13-8-1-2-8)6-14-4-3-12-7-14/h3-4,7-8,13H,1-2,5-6H2
InChIKeyPCSONQHIYKODDG-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.27
Rot. Bonds5

About N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine

N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine (PubChem CID 165466349) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine
PubChem CID165466349
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine
SMILESFC(F)(CNC1CC1)Cn1ccnc1
InChIInChI=1S/C9H13F2N3/c10-9(11,5-13-8-1-2-8)6-14-4-3-12-7-14/h3-4,7-8,13H,1-2,5-6H2
InChIKeyPCSONQHIYKODDG-UHFFFAOYSA-N
XLogP1.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
CID 79620812
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 60810197
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride
CID 55280057
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
1-(cyclooctylmethyl)imidazole
CID 20550238
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine?
The IUPAC name of N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine (CID 165466349) is N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine?
The canonical SMILES for N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine is FC(F)(CNC1CC1)Cn1ccnc1.
What is the InChIKey of N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine?
The InChIKey is PCSONQHIYKODDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11,5-13-8-1-2-8)6-14-4-3-12-7-14/h3-4,7-8,13H,1-2,5-6H2.
What are the key properties of N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine?
N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine has a molecular weight of 201.22 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine is sourced from PubChem (CID 165466349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).