N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine

C17H20N2 — CID 143183552

IUPACN-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine
SMILESC1=CC(/N=C/C=C/C=C/NC2=CCCC=C2)=CCC1
InChIInChI=1S/C17H20N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h3-4,6,8-15,18H,1-2,5,7H2/b9-3+,14-8+,19-15+
InChIKeyHJKNJKYWRNJJGT-GLBDIXCZSA-N
MW252.36 g/mol
LogP4.18
Rot. Bonds5

About N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine

N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine (PubChem CID 143183552) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine
PubChem CID143183552
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine
SMILESC1=CC(/N=C/C=C/C=C/NC2=CCCC=C2)=CCC1
InChIInChI=1S/C17H20N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h3-4,6,8-15,18H,1-2,5,7H2/b9-3+,14-8+,19-15+
InChIKeyHJKNJKYWRNJJGT-GLBDIXCZSA-N
XLogP4.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
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-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine (CID 143183552) is N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine is C1=CC(/N=C/C=C/C=C/NC2=CCCC=C2)=CCC1.
What is the InChIKey of N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is HJKNJKYWRNJJGT-GLBDIXCZSA-N. The full InChI is InChI=1S/C17H20N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h3-4,6,8-15,18H,1-2,5,7H2/b9-3+,14-8+,19-15+.
What are the key properties of N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine?
N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 252.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-5-cyclohexa-1,5-dien-1-yliminopenta-1,3-dienyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143183552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).