(4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine

C11H20N2O2 — CID 116780134

IUPAC(4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OC)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-14-11(4-8-15-9-5-11)10(12)13-6-2-3-7-13/h12H,2-9H2,1H3/b12-10-
InChIKeyWUAGFRUXXRLNBG-BENRWUELSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds2

About (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine

(4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine (PubChem CID 116780134) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
PubChem CID116780134
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OC)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-14-11(4-8-15-9-5-11)10(12)13-6-2-3-7-13/h12H,2-9H2,1H3/b12-10-
InChIKeyWUAGFRUXXRLNBG-BENRWUELSA-N
XLogP1.26
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2-Methyloxolan-2-yl)-morpholin-4-ylmethanimine
CID 80175331
(2-Methyloxan-2-yl)-pyrrolidin-1-ylmethanimine
CID 80681502
(1-Methoxycyclopentyl)-morpholin-4-ylmethanimine
CID 104611956
1-[(3-Methoxyoxolan-3-yl)methyl]piperidin-2-imine
CID 104762318
(4-Methoxyoxan-4-yl)-(4-methylpiperazin-1-yl)methanimine
CID 113563266
(4-Ethoxyoxan-4-yl)-(4-methylpiperazin-1-yl)methanimine
CID 113563267
4-methoxy-N,N-dimethyloxane-4-carboximidamide
CID 116780095
4-ethoxy-N,N-dimethyloxane-4-carboximidamide
CID 116780098
N,N-diethyl-4-methoxyoxane-4-carboximidamide
CID 116780115
4-ethoxy-N,N-diethyloxane-4-carboximidamide
CID 116780118
2-Ethyl-2-methoxy-1-pyrrolidin-1-ylbutan-1-imine
CID 116780129
2-Ethoxy-2-ethyl-1-pyrrolidin-1-ylbutan-1-imine
CID 116780132

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine (CID 116780134) is (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)C1(OC)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
The InChIKey is WUAGFRUXXRLNBG-BENRWUELSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-14-11(4-8-15-9-5-11)10(12)13-6-2-3-7-13/h12H,2-9H2,1H3/b12-10-.
What are the key properties of (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
(4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine has a molecular weight of 212.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 116780134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).