(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine

C11H20N2 — CID 170606240

IUPAC(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine
SMILESC/C=C1/NCC(CC)(CC)/C1=N/C
InChIInChI=1S/C11H20N2/c1-5-9-10(12-4)11(6-2,7-3)8-13-9/h5,13H,6-8H2,1-4H3/b9-5+,12-10+
InChIKeyRKHMUFQJWNMGDC-GVZDZPAXSA-N
MW180.29 g/mol
LogP2.37
Rot. Bonds2

About (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine

(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine (PubChem CID 170606240) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine.

Molecular Properties

Compound Name(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine
PubChem CID170606240
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine
SMILESC/C=C1/NCC(CC)(CC)/C1=N/C
InChIInChI=1S/C11H20N2/c1-5-9-10(12-4)11(6-2,7-3)8-13-9/h5,13H,6-8H2,1-4H3/b9-5+,12-10+
InChIKeyRKHMUFQJWNMGDC-GVZDZPAXSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
Pyrrolidine, 4,4-dimethyl-2-(4,4,5-trimethyl-1-pyrrolin-2-yl)methylene-
CID 171384716
5-(4,5-Dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidine-2-thione
CID 5375878
1,3,3-Trimethyl-2-[(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)methylidene]pyrrolidine
CID 59941725
ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane
CID 144740190
(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium
CID 2315544
(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-diethylazanium
CID 2315560
5,5-Dimethyl-3-pyrrolidin-1-yl-cyclohex-2-enylideneamine
CID 3757067
5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylcyclohex-2-en-1-imine
CID 7062678
(5Z)-5-[(4,4-dimethyl-2,3-dihydropyrrol-5-yl)methylidene]-3,3-dimethyl-2-methylidenepyrrolidine
CID 10932924
5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
CID 10980132
N,5,5-trimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 11045888

Frequently Asked Questions

What is the IUPAC name of (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine?
The IUPAC name of (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine (CID 170606240) is (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine.
What is the SMILES notation for (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine?
The canonical SMILES for (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine is C/C=C1/NCC(CC)(CC)/C1=N/C.
What is the InChIKey of (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine?
The InChIKey is RKHMUFQJWNMGDC-GVZDZPAXSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-9-10(12-4)11(6-2,7-3)8-13-9/h5,13H,6-8H2,1-4H3/b9-5+,12-10+.
What are the key properties of (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine?
(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine is sourced from PubChem (CID 170606240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).