4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine

C11H20N2 — CID 123614076

IUPAC4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
SMILESCC=C1/C(=N/C)CNC1(C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-9-10(12-5)7-13-11(9,4)8(2)3/h6,8,13H,7H2,1-5H3/b9-6?,12-10+
InChIKeyDYMFOYKKLGVCDA-GEKSPHCTSA-N
MW180.29 g/mol
LogP2.02
Rot. Bonds1

About 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine

4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine (PubChem CID 123614076) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine.

Molecular Properties

Compound Name4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
PubChem CID123614076
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
SMILESCC=C1/C(=N/C)CNC1(C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-9-10(12-5)7-13-11(9,4)8(2)3/h6,8,13H,7H2,1-5H3/b9-6?,12-10+
InChIKeyDYMFOYKKLGVCDA-GEKSPHCTSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.02
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

2-Fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135096
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
CID 123879311
3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine
CID 149363012
(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen
CID 153331309
N,2-dimethyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)butan-1-imine
CID 156452549
5-methyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 158880750
3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 159697912
5-cyclopropyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 160735393
2-(2-Methylprop-1-enyl)-2-propan-2-ylpyrrolidine
CID 79177978
5-[3-Methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
CID 143204908

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?
The IUPAC name of 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine (CID 123614076) is 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine.
What is the SMILES notation for 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?
The canonical SMILES for 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine is CC=C1/C(=N/C)CNC1(C)C(C)C.
What is the InChIKey of 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?
The InChIKey is DYMFOYKKLGVCDA-GEKSPHCTSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9-10(12-5)7-13-11(9,4)8(2)3/h6,8,13H,7H2,1-5H3/b9-6?,12-10+.
What are the key properties of 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine?
4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine is sourced from PubChem (CID 123614076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).