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

C12H22N2O2 — CID 116780137

IUPAC(4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(5-9-15-10-6-12)11(13)14-7-3-4-8-14/h13H,2-10H2,1H3/b13-11-
InChIKeyKLSLZXNPWJCGRF-QBFSEMIESA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds3

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

(4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine (PubChem CID 116780137) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
PubChem CID116780137
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(5-9-15-10-6-12)11(13)14-7-3-4-8-14/h13H,2-10H2,1H3/b13-11-
InChIKeyKLSLZXNPWJCGRF-QBFSEMIESA-N
XLogP1.65
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
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-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine (CID 116780137) is (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)C1(OCC)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
The InChIKey is KLSLZXNPWJCGRF-QBFSEMIESA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-12(5-9-15-10-6-12)11(13)14-7-3-4-8-14/h13H,2-10H2,1H3/b13-11-.
What are the key properties of (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine?
(4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine has a molecular weight of 226.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 116780137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).