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

C11H22N2O — CID 71323940

IUPACN-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
SMILESCCCC(C)=NN1CCCC1COC
InChIInChI=1S/C11H22N2O/c1-4-6-10(2)12-13-8-5-7-11(13)9-14-3/h11H,4-9H2,1-3H3
InChIKeyWKCOJYKCZUUIKZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.27
Rot. Bonds5

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

N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine (PubChem CID 71323940) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
PubChem CID71323940
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
SMILESCCCC(C)=NN1CCCC1COC
InChIInChI=1S/C11H22N2O/c1-4-6-10(2)12-13-8-5-7-11(13)9-14-3/h11H,4-9H2,1-3H3
InChIKeyWKCOJYKCZUUIKZ-UHFFFAOYSA-N
XLogP2.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.27
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

(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
(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)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 10913562
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
(4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dipropyl-1,9-bis(trimethylsilyloxy)nonan-5-imine
CID 15722700
(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
CID 177492712
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304
CID 10809024
CID 10809024
(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine
CID 11279331
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine?
The IUPAC name of N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine (CID 71323940) is N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine.
What is the SMILES notation for N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine?
The canonical SMILES for N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine is CCCC(C)=NN1CCCC1COC.
What is the InChIKey of N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine?
The InChIKey is WKCOJYKCZUUIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-10(2)12-13-8-5-7-11(13)9-14-3/h11H,4-9H2,1-3H3.
What are the key properties of N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine?
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine has a molecular weight of 198.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine is sourced from PubChem (CID 71323940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).