N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C10H17F3N2O — CID 106219189

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOC1CNC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2O/c1-16-8-4-7(14-6-8)5-15-9(2-3-9)10(11,12)13/h7-8,14-15H,2-6H2,1H3
InChIKeyVDKIDIIOQAHYPV-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.05
Rot. Bonds4

About N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106219189) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106219189
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOC1CNC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2O/c1-16-8-4-7(14-6-8)5-15-9(2-3-9)10(11,12)13/h7-8,14-15H,2-6H2,1H3
InChIKeyVDKIDIIOQAHYPV-UHFFFAOYSA-N
XLogP1.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 61214971
N-[(4-methoxypyrrolidin-2-yl)methyl]cyclohexanamine
CID 61214386
1,1-dicyclopropyl-N-[(4-methoxypyrrolidin-2-yl)methyl]methanamine
CID 61480574
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
CID 118498498
4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102744375
8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane
CID 63161070

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106219189) is N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is COC1CNC(CNC2(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is VDKIDIIOQAHYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-16-8-4-7(14-6-8)5-15-9(2-3-9)10(11,12)13/h7-8,14-15H,2-6H2,1H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 238.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrrolidin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106219189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).