(5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine

C13H21N — CID 123317280

IUPAC(5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine
SMILESCC=C/C=C(\C)C=C(C)C(C)/C=N/C
InChIInChI=1S/C13H21N/c1-6-7-8-11(2)9-12(3)13(4)10-14-5/h6-10,13H,1-5H3/b7-6?,11-8+,12-9?,14-10+
InChIKeyOHKFETZCNMFZIM-IWECKMSFSA-N
MW191.32 g/mol
LogP3.79
Rot. Bonds4

About (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine

(5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine (PubChem CID 123317280) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine.

Molecular Properties

Compound Name(5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine
PubChem CID123317280
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine
SMILESCC=C/C=C(\C)C=C(C)C(C)/C=N/C
InChIInChI=1S/C13H21N/c1-6-7-8-11(2)9-12(3)13(4)10-14-5/h6-10,13H,1-5H3/b7-6?,11-8+,12-9?,14-10+
InChIKeyOHKFETZCNMFZIM-IWECKMSFSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.79
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 (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine?
The IUPAC name of (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine (CID 123317280) is (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine.
What is the SMILES notation for (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine?
The canonical SMILES for (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine is CC=C/C=C(\C)C=C(C)C(C)/C=N/C.
What is the InChIKey of (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine?
The InChIKey is OHKFETZCNMFZIM-IWECKMSFSA-N. The full InChI is InChI=1S/C13H21N/c1-6-7-8-11(2)9-12(3)13(4)10-14-5/h6-10,13H,1-5H3/b7-6?,11-8+,12-9?,14-10+.
What are the key properties of (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine?
(5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N,2,3,5-tetramethylnona-3,5,7-trien-1-imine is sourced from PubChem (CID 123317280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).