N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine

C20H25N3 — CID 142901877

IUPACN-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESC=C/C=C\N=C.Cc1ccc(CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C15H18N2.C5H7N/c1-13-6-8-14(9-7-13)11-17(2)12-15-5-3-4-10-16-15;1-3-4-5-6-2/h3-10H,11-12H2,1-2H3;3-5H,1-2H2/b;5-4-
InChIKeyDJEGTPAIHIITDR-GUHKXDMSSA-N
MW307.44 g/mol
LogP4.41
Rot. Bonds6

About N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine

N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 142901877) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID142901877
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESC=C/C=C\N=C.Cc1ccc(CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C15H18N2.C5H7N/c1-13-6-8-14(9-7-13)11-17(2)12-15-5-3-4-10-16-15;1-3-4-5-6-2/h3-10H,11-12H2,1-2H3;3-5H,1-2H2/b;5-4-
InChIKeyDJEGTPAIHIITDR-GUHKXDMSSA-N
XLogP4.41
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.41
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-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 142901877) is N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine is C=C/C=C\N=C.Cc1ccc(CN(C)Cc2ccccn2)cc1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is DJEGTPAIHIITDR-GUHKXDMSSA-N. The full InChI is InChI=1S/C15H18N2.C5H7N/c1-13-6-8-14(9-7-13)11-17(2)12-15-5-3-4-10-16-15;1-3-4-5-6-2/h3-10H,11-12H2,1-2H3;3-5H,1-2H2/b;5-4-.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 307.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]methanimine;N-methyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 142901877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).