N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine

C13H18N2 — CID 143838581

IUPACN-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine
SMILESC=C/C(=C\N=C)CC.Cc1ccncc1
InChIInChI=1S/C7H11N.C6H7N/c1-4-7(5-2)6-8-3;1-6-2-4-7-5-3-6/h4,6H,1,3,5H2,2H3;2-5H,1H3/b7-6+;
InChIKeyNALNBJRLZSEKAX-UHDJGPCESA-N
MW202.30 g/mol
LogP3.56
Rot. Bonds3

About N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine

N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine (PubChem CID 143838581) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine.

Molecular Properties

Compound NameN-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine
PubChem CID143838581
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine
SMILESC=C/C(=C\N=C)CC.Cc1ccncc1
InChIInChI=1S/C7H11N.C6H7N/c1-4-7(5-2)6-8-3;1-6-2-4-7-5-3-6/h4,6H,1,3,5H2,2H3;2-5H,1H3/b7-6+;
InChIKeyNALNBJRLZSEKAX-UHDJGPCESA-N
XLogP3.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.56
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)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine?
The IUPAC name of N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine (CID 143838581) is N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine.
What is the SMILES notation for N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine?
The canonical SMILES for N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine is C=C/C(=C\N=C)CC.Cc1ccncc1.
What is the InChIKey of N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine?
The InChIKey is NALNBJRLZSEKAX-UHDJGPCESA-N. The full InChI is InChI=1S/C7H11N.C6H7N/c1-4-7(5-2)6-8-3;1-6-2-4-7-5-3-6/h4,6H,1,3,5H2,2H3;2-5H,1H3/b7-6+;.
What are the key properties of N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine?
N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine has a molecular weight of 202.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine is sourced from PubChem (CID 143838581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).