N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine

C9H16F2N2 — CID 177054123

IUPACN-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1C(=C(F)F)CCN1C
InChIInChI=1S/C9H16F2N2/c1-3-12-6-8-7(9(10)11)4-5-13(8)2/h8,12H,3-6H2,1-2H3
InChIKeyJHJZXICDFXYODV-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.45
Rot. Bonds3

About N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine

N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine (PubChem CID 177054123) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine
PubChem CID177054123
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1C(=C(F)F)CCN1C
InChIInChI=1S/C9H16F2N2/c1-3-12-6-8-7(9(10)11)4-5-13(8)2/h8,12H,3-6H2,1-2H3
InChIKeyJHJZXICDFXYODV-UHFFFAOYSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine (CID 177054123) is N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine is CCNCC1C(=C(F)F)CCN1C.
What is the InChIKey of N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is JHJZXICDFXYODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-3-12-6-8-7(9(10)11)4-5-13(8)2/h8,12H,3-6H2,1-2H3.
What are the key properties of N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine?
N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 190.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 177054123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).