N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H20F3N3 — CID 79260589

IUPACN'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CNCCNC1CCN(C2CC2)C1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)8-15-4-5-16-9-3-6-17(7-9)10-1-2-10/h9-10,15-16H,1-8H2
InChIKeyVXVCFWMEWFHFKX-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.96
Rot. Bonds6

About N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79260589) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79260589
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC NameN'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CNCCNC1CCN(C2CC2)C1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)8-15-4-5-16-9-3-6-17(7-9)10-1-2-10/h9-10,15-16H,1-8H2
InChIKeyVXVCFWMEWFHFKX-UHFFFAOYSA-N
XLogP0.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992476
N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
CID 62835220
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 62982821
N-[(1-aminocyclopropyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 65459112
N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
CID 81079562
N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 113281847
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 62982190
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823
1-cyclopropyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidin-3-amine
CID 62981445
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79260589) is N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is FC(F)(F)CNCCNC1CCN(C2CC2)C1.
What is the InChIKey of N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VXVCFWMEWFHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c12-11(13,14)8-15-4-5-16-9-3-6-17(7-9)10-1-2-10/h9-10,15-16H,1-8H2.
What are the key properties of N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 251.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79260589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).