N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C10H19F3N2 — CID 102819434

IUPACN-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(C[C@@H]1CCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)15(7-10(11,12)13)6-9-4-3-5-14-9/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyDXOWSRALGBXVSN-VIFPVBQESA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds4

About N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 102819434) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID102819434
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(C[C@@H]1CCCN1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)15(7-10(11,12)13)6-9-4-3-5-14-9/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyDXOWSRALGBXVSN-VIFPVBQESA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632139
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
CID 106632063
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 102819434) is N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(C[C@@H]1CCCN1)CC(F)(F)F.
What is the InChIKey of N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is DXOWSRALGBXVSN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(2)15(7-10(11,12)13)6-9-4-3-5-14-9/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 102819434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).