N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine

C13H24N2 — CID 24740810

IUPACN-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine
SMILESCCCCCC/C=C/C=C/C=N/N(C)C
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+,14-13+
InChIKeyYZVGMLQPVAFKPX-OFYUHDMGSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds8

About N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine

N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine (PubChem CID 24740810) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine
PubChem CID24740810
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine
SMILESCCCCCC/C=C/C=C/C=N/N(C)C
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+,14-13+
InChIKeyYZVGMLQPVAFKPX-OFYUHDMGSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine (CID 24740810) is N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine is CCCCCC/C=C/C=C/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine?
The InChIKey is YZVGMLQPVAFKPX-OFYUHDMGSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+,14-13+.
What are the key properties of N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine?
N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine has a molecular weight of 208.35 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(2E,4E)-undeca-2,4-dienylidene]amino]methanamine is sourced from PubChem (CID 24740810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).