N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine

C10H14F2N2 — CID 115407048

IUPACN-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
SMILESFC(F)CNCCCc1cccnc1
InChIInChI=1S/C10H14F2N2/c11-10(12)8-14-6-2-4-9-3-1-5-13-7-9/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyKSUNDCUWFBBGKP-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.87
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine

N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 115407048) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID115407048
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC NameN-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
SMILESFC(F)CNCCCc1cccnc1
InChIInChI=1S/C10H14F2N2/c11-10(12)8-14-6-2-4-9-3-1-5-13-7-9/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyKSUNDCUWFBBGKP-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
CID 113410445
1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine
CID 113407670
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115252913
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 103239880
N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
CID 110607154
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
3-(5-methylhexyl)pyridine
CID 54316004
8-pyridin-3-yloctan-1-ol
CID 11830623
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine (CID 115407048) is N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine is FC(F)CNCCCc1cccnc1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is KSUNDCUWFBBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-10(12)8-14-6-2-4-9-3-1-5-13-7-9/h1,3,5,7,10,14H,2,4,6,8H2.
What are the key properties of N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine?
N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 200.23 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 115407048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).