N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine

C11H18N2 — CID 134579854

IUPACN-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCC(C)C1
InChIInChI=1S/C11H18N2/c1-4-5-6-11(12-3)13-8-7-10(2)9-13/h4-6,10H,3,7-9H2,1-2H3/b5-4-,11-6+
InChIKeyWJDOOFVGROFHKT-UMEJXRAUSA-N
MW178.28 g/mol
LogP2.45
Rot. Bonds3

About N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine

N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine (PubChem CID 134579854) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine
PubChem CID134579854
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCC(C)C1
InChIInChI=1S/C11H18N2/c1-4-5-6-11(12-3)13-8-7-10(2)9-13/h4-6,10H,3,7-9H2,1-2H3/b5-4-,11-6+
InChIKeyWJDOOFVGROFHKT-UMEJXRAUSA-N
XLogP2.45
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 ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine (CID 134579854) is N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)N1CCC(C)C1.
What is the InChIKey of N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine?
The InChIKey is WJDOOFVGROFHKT-UMEJXRAUSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-5-6-11(12-3)13-8-7-10(2)9-13/h4-6,10H,3,7-9H2,1-2H3/b5-4-,11-6+.
What are the key properties of N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine has a molecular weight of 178.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-1-(3-methylpyrrolidin-1-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 134579854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).