6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine

C16H20N2O — CID 54136530

IUPAC6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine
SMILESCONC1=CC=CCC1=C(c1ccccc1)N(C)C
InChIInChI=1S/C16H20N2O/c1-18(2)16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17-19-3/h4-10,12,17H,11H2,1-3H3
InChIKeyNYCGYMNENIZMSX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds4

About 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine

6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine (PubChem CID 54136530) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine
PubChem CID54136530
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine
SMILESCONC1=CC=CCC1=C(c1ccccc1)N(C)C
InChIInChI=1S/C16H20N2O/c1-18(2)16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17-19-3/h4-10,12,17H,11H2,1-3H3
InChIKeyNYCGYMNENIZMSX-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine (CID 54136530) is 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine is CONC1=CC=CCC1=C(c1ccccc1)N(C)C.
What is the InChIKey of 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine?
The InChIKey is NYCGYMNENIZMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17-19-3/h4-10,12,17H,11H2,1-3H3.
What are the key properties of 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine?
6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 54136530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).