N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine

C11H17N3 — CID 142808467

IUPACN-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)CN1CCN=C1C
InChIInChI=1S/C11H17N3/c1-4-5-11(8-12-3)9-14-7-6-13-10(14)2/h4-5,8H,3,6-7,9H2,1-2H3/b5-4-,11-8+
InChIKeyBSPLSQVYCNMCEI-LGXSBLIVSA-N
MW191.28 g/mol
LogP1.88
Rot. Bonds4

About N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine (PubChem CID 142808467) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine
PubChem CID142808467
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)CN1CCN=C1C
InChIInChI=1S/C11H17N3/c1-4-5-11(8-12-3)9-14-7-6-13-10(14)2/h4-5,8H,3,6-7,9H2,1-2H3/b5-4-,11-8+
InChIKeyBSPLSQVYCNMCEI-LGXSBLIVSA-N
XLogP1.88
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine (CID 142808467) is N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)CN1CCN=C1C.
What is the InChIKey of N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine?
The InChIKey is BSPLSQVYCNMCEI-LGXSBLIVSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-5-11(8-12-3)9-14-7-6-13-10(14)2/h4-5,8H,3,6-7,9H2,1-2H3/b5-4-,11-8+.
What are the key properties of N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine has a molecular weight of 191.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 142808467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).