N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine

C8H16N2O — CID 70691335

IUPACN-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
SMILESCC=NOC[C@@H]1CCCN1C
InChIInChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/t8-/m0/s1
InChIKeyQTLXSRJGECVFKB-QMMMGPOBSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds3

About N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine

N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine (PubChem CID 70691335) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine.

Molecular Properties

Compound NameN-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
PubChem CID70691335
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
SMILESCC=NOC[C@@H]1CCCN1C
InChIInChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/t8-/m0/s1
InChIKeyQTLXSRJGECVFKB-QMMMGPOBSA-N
XLogP1.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
CID 11275136
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
CID 71057563
carbon dioxide;(Z)-2-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]hex-4-yn-3-imine
CID 172960232
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 168880743

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine?
The IUPAC name of N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine (CID 70691335) is N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine.
What is the SMILES notation for N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine?
The canonical SMILES for N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine is CC=NOC[C@@H]1CCCN1C.
What is the InChIKey of N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine?
The InChIKey is QTLXSRJGECVFKB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine?
N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine has a molecular weight of 156.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine is sourced from PubChem (CID 70691335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).