(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine

C10H20N2O — CID 13198371

IUPAC(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
SMILESCC/C(C)=N/N1CCCC1COC
InChIInChI=1S/C10H20N2O/c1-4-9(2)11-12-7-5-6-10(12)8-13-3/h10H,4-8H2,1-3H3/b11-9+
InChIKeyKELKATRCCFSFJW-PKNBQFBNSA-N
MW184.28 g/mol
LogP1.88
Rot. Bonds4

About (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine

(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine (PubChem CID 13198371) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine.

Molecular Properties

Compound Name(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
PubChem CID13198371
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
SMILESCC/C(C)=N/N1CCCC1COC
InChIInChI=1S/C10H20N2O/c1-4-9(2)11-12-7-5-6-10(12)8-13-3/h10H,4-8H2,1-3H3/b11-9+
InChIKeyKELKATRCCFSFJW-PKNBQFBNSA-N
XLogP1.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 10913562
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine
CID 134876893
(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine
CID 134876840
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine
CID 11279331
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
CID 10809024
CID 10809024
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304
(4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dipropyl-1,9-bis(trimethylsilyloxy)nonan-5-imine
CID 15722700
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-4-imine
CID 177488855
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
The IUPAC name of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine (CID 13198371) is (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine.
What is the SMILES notation for (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
The canonical SMILES for (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine is CC/C(C)=N/N1CCCC1COC.
What is the InChIKey of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
The InChIKey is KELKATRCCFSFJW-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-9(2)11-12-7-5-6-10(12)8-13-3/h10H,4-8H2,1-3H3/b11-9+.
What are the key properties of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine has a molecular weight of 184.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine is sourced from PubChem (CID 13198371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).