N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine

C16H21N — CID 58422540

IUPACN-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine
SMILESCC=CC=CC=CC/C=N/C=CC=CC=CC
InChIInChI=1S/C16H21N/c1-3-5-7-9-10-12-14-16-17-15-13-11-8-6-4-2/h3-13,15-16H,14H2,1-2H3/b5-3?,6-4?,9-7?,11-8?,12-10?,15-13?,17-16+
InChIKeyMMBSYHQDJMMASN-AWVRCEQHSA-N
MW227.35 g/mol
LogP4.78
Rot. Bonds7

About N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine

N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine (PubChem CID 58422540) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine.

Molecular Properties

Compound NameN-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine
PubChem CID58422540
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine
SMILESCC=CC=CC=CC/C=N/C=CC=CC=CC
InChIInChI=1S/C16H21N/c1-3-5-7-9-10-12-14-16-17-15-13-11-8-6-4-2/h3-13,15-16H,14H2,1-2H3/b5-3?,6-4?,9-7?,11-8?,12-10?,15-13?,17-16+
InChIKeyMMBSYHQDJMMASN-AWVRCEQHSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.78
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 N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine?
The IUPAC name of N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine (CID 58422540) is N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine.
What is the SMILES notation for N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine?
The canonical SMILES for N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine is CC=CC=CC=CC/C=N/C=CC=CC=CC.
What is the InChIKey of N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine?
The InChIKey is MMBSYHQDJMMASN-AWVRCEQHSA-N. The full InChI is InChI=1S/C16H21N/c1-3-5-7-9-10-12-14-16-17-15-13-11-8-6-4-2/h3-13,15-16H,14H2,1-2H3/b5-3?,6-4?,9-7?,11-8?,12-10?,15-13?,17-16+.
What are the key properties of N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine?
N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine has a molecular weight of 227.35 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine is sourced from PubChem (CID 58422540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).