4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline

C16H20N2O — CID 71179678

IUPAC4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline
SMILESCOc1ccc(N(C)N=CC2=CCC(C)C=C2)cc1
InChIInChI=1S/C16H20N2O/c1-13-4-6-14(7-5-13)12-17-18(2)15-8-10-16(19-3)11-9-15/h4,6-13H,5H2,1-3H3
InChIKeyVYLQLASSHKMANP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.64
Rot. Bonds4

About 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline

4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline (PubChem CID 71179678) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline
PubChem CID71179678
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline
SMILESCOc1ccc(N(C)N=CC2=CCC(C)C=C2)cc1
InChIInChI=1S/C16H20N2O/c1-13-4-6-14(7-5-13)12-17-18(2)15-8-10-16(19-3)11-9-15/h4,6-13H,5H2,1-3H3
InChIKeyVYLQLASSHKMANP-UHFFFAOYSA-N
XLogP3.64
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline?
The IUPAC name of 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline (CID 71179678) is 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline is COc1ccc(N(C)N=CC2=CCC(C)C=C2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline?
The InChIKey is VYLQLASSHKMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-4-6-14(7-5-13)12-17-18(2)15-8-10-16(19-3)11-9-15/h4,6-13H,5H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline?
4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline is sourced from PubChem (CID 71179678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).