(2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine

C11H18N2 — CID 89143609

IUPAC(2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine
SMILESC/C=C\C(=C/C=N/C)N1CCCC1
InChIInChI=1S/C11H18N2/c1-3-6-11(7-8-12-2)13-9-4-5-10-13/h3,6-8H,4-5,9-10H2,1-2H3/b6-3-,11-7+,12-8+
InChIKeyBCEIWGIMVGROGU-NUPDIIAGSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds3

About (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine

(2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine (PubChem CID 89143609) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine
PubChem CID89143609
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine
SMILESC/C=C\C(=C/C=N/C)N1CCCC1
InChIInChI=1S/C11H18N2/c1-3-6-11(7-8-12-2)13-9-4-5-10-13/h3,6-8H,4-5,9-10H2,1-2H3/b6-3-,11-7+,12-8+
InChIKeyBCEIWGIMVGROGU-NUPDIIAGSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methylpyrrolidinium 2-cyanopyrrolide
CID 134716228
2-[(Pyrrolidin-1-yl)methylidene]-2H-pyrrole
CID 71396807
(2E,4Z)-N,N-dimethyl-1-methyliminohexa-2,4-dien-3-amine
CID 89531254
(3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine
CID 137434946
(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
CID 142593526
methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium
CID 142839008
(3E)-N,N-dimethyl-5-methyliminopenta-1,3-dien-3-amine
CID 143259256
(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 146656237
2-(1-methyl-2H-pyrrol-5-ylidene)pyrrole
CID 154514940
(3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine
CID 157043832
(2E,4E)-N,N-dimethyl-5-pyrrolidin-1-ylhepta-2,4,6-trien-1-amine
CID 164140550
(3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine
CID 167138531

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine (CID 89143609) is (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine is C/C=C\C(=C/C=N/C)N1CCCC1.
What is the InChIKey of (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
The InChIKey is BCEIWGIMVGROGU-NUPDIIAGSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-6-11(7-8-12-2)13-9-4-5-10-13/h3,6-8H,4-5,9-10H2,1-2H3/b6-3-,11-7+,12-8+.
What are the key properties of (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine?
(2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-3-pyrrolidin-1-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 89143609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).