N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine

C10H16N2 — CID 143552651

IUPACN-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)C1CCCN1C
InChIInChI=1S/C10H16N2/c1-4-9(8-11-2)10-6-5-7-12(10)3/h4,8,10H,1-2,5-7H2,3H3/b9-8+
InChIKeyQGTYODHKBVEWIJ-CMDGGOBGSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds3

About N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine

N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine (PubChem CID 143552651) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine
PubChem CID143552651
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)C1CCCN1C
InChIInChI=1S/C10H16N2/c1-4-9(8-11-2)10-6-5-7-12(10)3/h4,8,10H,1-2,5-7H2,3H3/b9-8+
InChIKeyQGTYODHKBVEWIJ-CMDGGOBGSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
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-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine (CID 143552651) is N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine is C=C/C(=C\N=C)C1CCCN1C.
What is the InChIKey of N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine?
The InChIKey is QGTYODHKBVEWIJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9(8-11-2)10-6-5-7-12(10)3/h4,8,10H,1-2,5-7H2,3H3/b9-8+.
What are the key properties of N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine?
N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 143552651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).