(3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine

C13H22N2 — CID 143710802

IUPAC(3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine
SMILESC=C/C(C)=C\C=C(/C)C(C)(/C=N/C)NC
InChIInChI=1S/C13H22N2/c1-7-11(2)8-9-12(3)13(4,15-6)10-14-5/h7-10,15H,1H2,2-6H3/b11-8-,12-9+,14-10+
InChIKeyMZOXCOPXLZNRNP-XQFKPZNGSA-N
MW206.33 g/mol
LogP2.74
Rot. Bonds5

About (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine

(3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine (PubChem CID 143710802) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine
PubChem CID143710802
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine
SMILESC=C/C(C)=C\C=C(/C)C(C)(/C=N/C)NC
InChIInChI=1S/C13H22N2/c1-7-11(2)8-9-12(3)13(4,15-6)10-14-5/h7-10,15H,1H2,2-6H3/b11-8-,12-9+,14-10+
InChIKeyMZOXCOPXLZNRNP-XQFKPZNGSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.74
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 (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine?
The IUPAC name of (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine (CID 143710802) is (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine.
What is the SMILES notation for (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine?
The canonical SMILES for (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine is C=C/C(C)=C\C=C(/C)C(C)(/C=N/C)NC.
What is the InChIKey of (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine?
The InChIKey is MZOXCOPXLZNRNP-XQFKPZNGSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-11(2)8-9-12(3)13(4,15-6)10-14-5/h7-10,15H,1H2,2-6H3/b11-8-,12-9+,14-10+.
What are the key properties of (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine?
(3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine is sourced from PubChem (CID 143710802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).