2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C11H18F3N3 — CID 106614944

IUPAC2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC1CCCN1)CC(C#N)C(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-2-17(8-10-4-3-5-16-10)7-9(6-15)11(12,13)14/h9-10,16H,2-5,7-8H2,1H3
InChIKeyGKFMNHCSTYKOQK-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.76
Rot. Bonds5

About 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 106614944) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID106614944
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC1CCCN1)CC(C#N)C(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-2-17(8-10-4-3-5-16-10)7-9(6-15)11(12,13)14/h9-10,16H,2-5,7-8H2,1H3
InChIKeyGKFMNHCSTYKOQK-UHFFFAOYSA-N
XLogP1.76
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106632376
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106615318
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106617970
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 106614944) is 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CCN(CC1CCCN1)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is GKFMNHCSTYKOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-2-17(8-10-4-3-5-16-10)7-9(6-15)11(12,13)14/h9-10,16H,2-5,7-8H2,1H3.
What are the key properties of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 249.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 106614944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).