6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine

C16H19N — CID 146557645

IUPAC6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N/C(/C=C\C)=C(C)/C=C\C
InChIInChI=1S/C16H19N/c1-5-9-13(3)15(10-6-2)17-16-12-8-7-11-14(16)4/h5-12H,4H2,1-3H3/b9-5-,10-6-,15-13+,17-16+
InChIKeyDTKPEOACMVLFEZ-LPTRHGAZSA-N
MW225.33 g/mol
LogP4.54
Rot. Bonds3

About 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine

6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine (PubChem CID 146557645) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine
PubChem CID146557645
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N/C(/C=C\C)=C(C)/C=C\C
InChIInChI=1S/C16H19N/c1-5-9-13(3)15(10-6-2)17-16-12-8-7-11-14(16)4/h5-12H,4H2,1-3H3/b9-5-,10-6-,15-13+,17-16+
InChIKeyDTKPEOACMVLFEZ-LPTRHGAZSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine (CID 146557645) is 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N/C(/C=C\C)=C(C)/C=C\C.
What is the InChIKey of 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine?
The InChIKey is DTKPEOACMVLFEZ-LPTRHGAZSA-N. The full InChI is InChI=1S/C16H19N/c1-5-9-13(3)15(10-6-2)17-16-12-8-7-11-14(16)4/h5-12H,4H2,1-3H3/b9-5-,10-6-,15-13+,17-16+.
What are the key properties of 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine?
6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine has a molecular weight of 225.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 146557645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).