methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine

C10H21F3N2 — CID 158536880

IUPACmethane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine
SMILESC.CN(CCCC(F)(F)F)[C@@H]1CCNC1
InChIInChI=1S/C9H17F3N2.CH4/c1-14(8-3-5-13-7-8)6-2-4-9(10,11)12;/h8,13H,2-7H2,1H3;1H4/t8-;/m1./s1
InChIKeyHOAWYRBDITYHGC-DDWIOCJRSA-N
MW226.29 g/mol
LogP2.26
Rot. Bonds4

About methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine

methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine (PubChem CID 158536880) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine.

Molecular Properties

Compound Namemethane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine
PubChem CID158536880
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Namemethane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine
SMILESC.CN(CCCC(F)(F)F)[C@@H]1CCNC1
InChIInChI=1S/C9H17F3N2.CH4/c1-14(8-3-5-13-7-8)6-2-4-9(10,11)12;/h8,13H,2-7H2,1H3;1H4/t8-;/m1./s1
InChIKeyHOAWYRBDITYHGC-DDWIOCJRSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)pyrrolidine
CID 2758519
3-(Diethylamino)pyrrolidine
CID 19961995
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine
CID 43315255
1-(2,2-Difluoroethyl)pyrrolidin-3-amine
CID 62067703
N,1-dimethylpyrrolidin-3-amine
CID 2758520
(3R)-(+)-3-(Dimethylamino)pyrrolidine
CID 2758521
1-(Pyrrolidin-1-yl)butan-2-amine
CID 6484668
(3S)-(-)-3-(Dimethylamino)pyrrolidine
CID 7019156
Methyl-((R)-1-methylpyrrolidin-3-yl)amine
CID 7154260
N,1-Diethylpyrrolidin-3-amine
CID 14153712
methyl[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]amine
CID 14804464
2-(Pyrrolidin-1-yl)butan-1-amine
CID 16781670

Frequently Asked Questions

What is the IUPAC name of methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine?
The IUPAC name of methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine (CID 158536880) is methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine.
What is the SMILES notation for methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine?
The canonical SMILES for methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine is C.CN(CCCC(F)(F)F)[C@@H]1CCNC1.
What is the InChIKey of methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine?
The InChIKey is HOAWYRBDITYHGC-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17F3N2.CH4/c1-14(8-3-5-13-7-8)6-2-4-9(10,11)12;/h8,13H,2-7H2,1H3;1H4/t8-;/m1./s1.
What are the key properties of methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine?
methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine has a molecular weight of 226.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine is sourced from PubChem (CID 158536880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).